SCHEMBL8261195

SCHEMBL8261195

O=C(NCC1CCCO1)c1n[nH]cc1NC(=O)c1c(F)cccc1F

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.53
▸ KCNH2 Q12809 1/20 0.53
▸ HPGD P15428 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ GAA P10253 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ KMT2A Q03164 4/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ RAB9A P51151 2/20 0.48
▸ CYP3A4 P08684 1/20 0.47
▸ CCNA2 P20248 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ MAPT P10636 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ POLB P06746 1/20 0.46

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
SCHEMBL8219161 0.84 CCNA2 (0.63) GSK3BKCNH2KMT2AMEN1ALDH1A1
SCHEMBL8228035 0.84 CCNA2 (0.55) GSK3BKCNH2CYP2C9CYP3A4CCNA2
SCHEMBL8261337 0.84 CCNA2 (0.57) GSK3BKCNH2KMT2AMEN1CCNA2
SCHEMBL8219257 0.81 CDK2 (0.56) CCNA2CDK2
SCHEMBL8219744 0.80 CDK2 (0.50) CCNA2CDK2
SCHEMBL8262274 0.80 CDK2 (0.50) CCNA2CDK2
SCHEMBL8226199 0.78 CCNA2 (0.53) GSK3BKCNH2CCNA2CDK2MAPT
SCHEMBL13543788 0.78 CCNA2 (0.48) GSK3BKCNH2KMT2ACCNA2CDK2
SCHEMBL1286718 0.78 CDK2 (0.50) GSK3BKCNH2KMT2AMEN1CCNA2
SCHEMBL8228006 0.77 CDK2 (0.49) GSK3BKCNH2CCNA2CDK2

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 38 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-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
EP-2256106-B1 3,4-disubstituted 1H-pyrazole compounds and their use as cyclin dependent kinases (CDK) and glycogen synthase kinase-3 (GSK-3) modulators ASTEX THERAPEUTICS LTD (GB) 2015-05-06 — — EP 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-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-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-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-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
WO-2006077424-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 — — WO 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 (6 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 GSK3B 208/4885KCNH2 2418/4885HPGD 2546/4885
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 GSK3B 4/4885KCNH2 4586/4885HPGD 1057/4885
US-20080269207-A1 Anticancer agents; such as 4-acetylamino-1H-pyrazole-3-carboxylic acid (4-fluoro-phenyl)-amide CDK1, CDK4, CDK3 GSK3B 22/4885KCNH2 3775/4885HPGD 782/4885
US-20080161251-A1 Pharmaceutical Compounds HRH4, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NR4A1 GSK3B 82/4885KCNH2 2699/4885HPGD 943/4885
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 GSK3B 7/4885KCNH2 3437/4885HPGD 780/4885
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 GSK3B 20/4885KCNH2 3432/4885HPGD 629/4885

“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.

Send feedback