SCHEMBL12002312

SCHEMBL12002312

O=C(Nc1cccc(CN2CCOCC2)c1)c1n[nH]cc1NC(=O)c1c(F)cccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 2/20 0.50
▸ KCNH2 Q12809 4/20 0.49
▸ LMNA P02545 2/20 0.49
▸ BCL3 P20749 1/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ TP53 P04637 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ HIF1A Q16665 2/20 0.48
▸ EPAS1 Q99814 2/20 0.48
▸ CDK5 Q00535 1/20 0.47
▸ CDK5R1 Q15078 1/20 0.47
▸ KDM1A O60341 1/20 0.47
▸ RCOR1 Q9UKL0 1/20 0.47
▸ ABL1 P00519 1/20 0.46
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ AURKA O14965 1/20 0.43
▸ RPS6KB1 P23443 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8226200 0.84 BCL3 (0.56) ACKR3KCNH2LMNABCL3NPC1
SCHEMBL8216973 0.83 RAB9A (0.46) ACKR3LMNARAB9AABL1AURKA
SCHEMBL8223960 0.81 BCL3 (0.70) BCL3ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL13993631 0.81 RAB9A (0.56) LMNABCL3NPC1RAB9AALDH1A1
SCHEMBL13543797 0.80 BCL3 (0.47) LMNABCL3NPC1RAB9AALDH1A1
SCHEMBL23271131 0.80 ACKR3 (0.54) ACKR3KCNH2
SCHEMBL8219766 0.76 L3MBTL1 (0.69) ACKR3KCNH2ALDH1A1KMT2A
SCHEMBL1645610 0.76 AURKA (0.52) BCL3NPC1RAB9AALDH1A1TP53
SCHEMBL12027322 0.76 KCNH2 (0.46) KCNH2LMNARAB9ASMN1; SMN2HIF1A
SCHEMBL23271055 0.76 CDK14 (0.62) ACKR3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051278-B2 3,4-disubstituted 1H-pyrazole compounds and their use as cyclin dependent kinase and glycogen synthase kinase-3 modulators ASTEX THERAPEUTICS, LTD. (GB) 2015-06-09 — — US disclosed
US-20140371213-A1 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASE AND GLYCOGEN SYNTHASE KINASE-3 MODULATORS ASTEX THERAPEUTICS, LTD. (GB) 2014-12-18 — — US disclosed
US-8779147-B2 3,4-disubstituted 1H-pyrazole compounds and their use as cyclin dependent kinase and glycogen synthase kinase-3 modulators ASTEX THERAPEUTICS, LTD. (GB) 2014-07-15 — — US disclosed
US-8404718-B2 Combinations of pyrazole kinase inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2013-03-26 — — US disclosed
US-20120213791-A1 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASE AND GLYCOGEN SYNTHASE KINASE-3 MODULATORS ASTEX THERAPEUTICS, LTD. (GB) 2012-08-23 — — US disclosed
US-8080666-B2 3,4-disubstituted 1H-pyrazole compounds and their use as cyclin dependent kinase and glycogen synthase kinase-3 modulators ASTEX THERAPEUTICS, LTD. (GB) 2011-12-20 — — US disclosed
US-20110002879-A1 Combinations of Pyrazole Kinase Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2011-01-06 — — US disclosed
US-20110003799-A1 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASE AND GLYCOGEN SYNTHASE KINASE-3 MODULATORS ASTEX THERAPEUTICS, LTD. (GB) 2011-01-06 — — US disclosed
EP-2256106-A1 3,4-disubstituted 1H-pyrazole compounds and their use as cyclin dependent kinases (CDK) and glycogen synthase kinase-3 (GSK-3) modulators Astex Therapeutics Limited (GB) 2010-12-01 — — EP disclosed
US-7825140-B2 Utilizing such as 4-(2,6-dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide against cancer growth ASTEX THERAPEUTICS, LTD. (GB) 2010-11-02 — — US disclosed
US-20080269207-A1 Anticancer agents; such as 4-acetylamino-1H-pyrazole-3-carboxylic acid (4-fluoro-phenyl)-amide ASTEX THERAPEUTICS, LTD. (GB) 2008-10-30 — — US disclosed
US-20080269207-A1 Anticancer agents; such as 4-acetylamino-1H-pyrazole-3-carboxylic acid (4-fluoro-phenyl)-amide ASTEX THERAPEUTICS, LTD. (GB) 2008-10-30 — — US disclosed
US-20080200509-A1 Utilizing such as 4-(2,6-dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide against cancer growth ASTEX THERAPEUTICS, LTD. (GB) 2008-08-21 — — US disclosed
US-20080200509-A1 Utilizing such as 4-(2,6-dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide against cancer growth ASTEX THERAPEUTICS, LTD. (GB) 2008-08-21 — — US disclosed
US-20080161355-A1 Combinations of Pyrazole Kinase Inhibitors and Further Antitumor Agents ASTEX THERAPEUTICS LIMITED (UK) 2008-07-03 — — US disclosed
US-20080161355-A1 Combinations of Pyrazole Kinase Inhibitors and Further Antitumor Agents ASTEX THERAPEUTICS LIMITED (UK) 2008-07-03 — — US disclosed
US-20080161251-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (UK) 2008-07-03 — — US disclosed
US-20080161251-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (UK) 2008-07-03 — — US disclosed
US-7385059-B2 4-(2,6-Dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide; anticancer agents; carcinoma of the colon; antifungal agents; antitumor agents; infections ASTEX THERAPEUTICS LIMITED (GB) 2008-06-10 — — US disclosed
US-7385059-B2 4-(2,6-Dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide; anticancer agents; carcinoma of the colon; antifungal agents; antitumor agents; infections ASTEX THERAPEUTICS LIMITED (GB) 2008-06-10 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080161355-A1 Combinations of Pyrazole Kinase Inhibitors and Further Antitumor Agents ROS1, CDK9, GRK4 ACKR3 1190/4885KCNH2 2418/4885LMNA 3951/4885
US-20120213791-A1 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASE AND GLYCOGEN SYNTHASE KINASE-3 MODULATORS CDK3, CDK1, CDKL3 ACKR3 2616/4885KCNH2 4586/4885LMNA 826/4885
US-20080269207-A1 Anticancer agents; such as 4-acetylamino-1H-pyrazole-3-carboxylic acid (4-fluoro-phenyl)-amide CDK1, CDK4, CDK3 ACKR3 1257/4885KCNH2 3775/4885LMNA 1627/4885
US-20110002879-A1 Combinations of Pyrazole Kinase Inhibitors ERBB4, GRK4, ROS1 ACKR3 1146/4885KCNH2 2396/4885LMNA 3658/4885
US-20080161251-A1 Pharmaceutical Compounds HRH4, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NR4A1 ACKR3 1264/4885KCNH2 2699/4885LMNA 3093/4885
US-20140371213-A1 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASE AND GLYCOGEN SYNTHASE KINASE-3 MODULATORS CDK1, CDK3, CDK13 ACKR3 1699/4885KCNH2 3437/4885LMNA 1189/4885
US-20110003799-A1 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASE AND GLYCOGEN SYNTHASE KINASE-3 MODULATORS CDK1, CDK3, CDK13 ACKR3 1699/4885KCNH2 3437/4885LMNA 1189/4885
US-20080200509-A1 Utilizing such as 4-(2,6-dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide against cancer growth CDK3, CDK4, CDK1 ACKR3 1719/4885KCNH2 3432/4885LMNA 1594/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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