SCHEMBL954760

SCHEMBL954760

O=C(NN1CCCCC1)c1n[nH]cc1NC(=O)c1c(F)cccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.44
▸ CDK1 P06493 2/20 0.42
▸ CCNB1 P14635 2/20 0.42
▸ CCNA2 P20248 2/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ HTT P42858 3/20 0.40
▸ BCL3 P20749 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ TYK2 P29597 1/20 0.39
▸ NOD2 Q9HC29 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GLA P06280 1/20 0.38

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
SCHEMBL959134 0.91 KMT2A (0.46) MAPTCCNA2CDK2MEN1KMT2A
SCHEMBL955570 0.86 CDK14 (0.46) MAPTCNR1CNR2NPSR1
Hydrochloric Acid SCHEMBL953649 0.85 CDK14 (0.46) MAPTCNR1CNR2NPSR1
SCHEMBL1286713 0.80 CDK2 (0.63) CDK1CCNB1CCNA2CDK2KMT2A
SCHEMBL8224133 0.79 CDK2 (0.50) MAPTCDK1CCNB1CCNA2CDK2
SCHEMBL3587804 0.79 MEN1 (0.47) CDK1CCNB1CCNA2CDK2MEN1
SCHEMBL955039 0.79 MEN1 (0.49) CDK1CCNB1CCNA2CDK2MEN1
SCHEMBL4288778 0.78 CDK2 (0.61) CDK1CCNB1CCNA2CDK2MEN1
SCHEMBL8219373 0.78 MEN1 (0.48) MAPTCDK1CCNB1CCNA2CDK2
SCHEMBL8225001 0.77 CDK2 (0.52) CDK1CCNB1CCNA2CDK2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1845973-B1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2015-08-12 — — EP claimed
EP-1651612-B9 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) 2012-09-05 — — EP claimed
US-20100179145-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2010-07-15 — — US claimed
US-20100021420-A1 COMBINATIONS OF PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDKS AND GSK'S ASTEX THERAPEUTICS LIMITED (GB) 2010-01-28 — — US claimed
US-20090263398-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2009-10-22 — — US claimed
EP-2073803-A1 PHARMACEUTICAL COMBINATIONS Astex Therapeutics Limited (GB) 2009-07-01 — — EP claimed
EP-2049106-A2 PHARMACEUTICAL COMBINATIONS Astex Therapeutics Limited (GB) 2009-04-22 — — EP claimed
EP-2046330-A2 PHARMACEUTICAL COMBINATIONS Astex Therapeutics Limited (GB) 2009-04-15 — — EP claimed
EP-2046327-A1 MEDICAL USE OF CYCLIN DEPENDENT KINASES INHIBITORS Astex Therapeutics Limited (GB) 2009-04-15 — — EP claimed
EP-2043635-A2 PHARMACEUTICAL COMBINATIONS Astex Therapeutics Limited (GB) 2009-04-08 — — EP claimed
WO-2008007122-A2 COMBINATIONS OF PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDKS AND GSK'S ASTEX THERAPEUTICS LIMITED (GB) 2008-01-17 — — WO claimed
WO-2008007113-A2 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2008-01-17 — — WO claimed
WO-2008001101-A2 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2008-01-03 — — WO claimed
EP-1845974-A1 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2007-10-24 — — EP claimed
EP-1845975-A1 COMBINATIONS OF PYRAZOLE KINASE INHIBITORS AND FURTHER ANTITUMOR AGENTS Astex Therapeutics Limited (GB) 2007-10-24 — — EP claimed
EP-1845973-A1 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2007-10-24 — — EP claimed
US-20060194843-A1 4-(2,6-Dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide; anticancer agents; carcinoma of the colon; antifungal agents; antitumor agents; infections; 4-(2,6-difluoro-benzoylamino)-1H-pyrazole-3-carboxylic acid (1-methyl-piperidin-4-yl)-amide ASTEX THERAPEUTICS LIMITED (GB) 2006-08-31 — — US claimed
WO-2006077424-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 — — WO claimed
WO-2006077428-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 — — WO claimed
WO-2006077425-A1 COMBINATIONS OF PYRAZOLE KINASE INHIBITORS AND FURTHER ANTITUMOR AGENTS ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 — — WO claimed

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

For each of this compound's patents that has machine-readable text (4 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-20060194843-A1 4-(2,6-Dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide; anticancer agents; carcinoma of the colon; antifungal agents; antitumor agents; infections; 4-(2,6-difluoro-benzoylamino)-1H-pyrazole-3-carboxylic acid (1-methyl-piperidin-4-yl)-amide CDK1, CDK3, ROS1 MAPT 3442/4885CDK1 1/4885CCNB1 81/4885
US-20100021420-A1 COMBINATIONS OF PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDKS AND GSK'S CDK9, CDK1, CDK19 MAPT 1303/4885CDK1 2/4885CCNB1 28/4885
US-20090263398-A1 PHARMACEUTICAL COMBINATIONS HRH4, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP3A4 MAPT 1137/4885CDK1 937/4885CCNB1 1154/4885
US-20100179145-A1 PHARMACEUTICAL COMBINATIONS GSK3B, CDK1, CDK6 MAPT 1195/4885CDK1 2/4885CCNB1 135/4885

“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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