SCHEMBL3587209

SCHEMBL3587209

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
RAB9A P51151 2/20 0.46
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
HTT P42858 1/20 0.44
NOD2 Q9HC29 1/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
IL2 P60568 2/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CCNA1 P78396 1/20 0.43
LMNA P02545 2/20 0.42

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
SCHEMBL954844 0.87 SMN1; SMN2 (0.51) POLBMEN1KMT2ARAB9AHTT
SCHEMBL955039 0.86 MEN1 (0.49) POLBMEN1KMT2ARAB9AJAK2
SCHEMBL8219373 0.85 MEN1 (0.48) POLBMEN1KMT2ARAB9AJAK2
SCHEMBL8260919 0.84 TSHR (0.40) POLBMEN1KMT2ARAB9ANPC1
SCHEMBL1070972 0.84 KMT2A (0.55) POLBMEN1KMT2ARAB9AJAK2
SCHEMBL3587804 0.84 MEN1 (0.47) POLBMEN1KMT2ARAB9AJAK2
SCHEMBL3588253 0.82 MEN1 (0.44) POLBMEN1KMT2ARAB9AJAK2
SCHEMBL956928 0.81 CDK1 (0.60) POLBMEN1KMT2ARAB9AJAK2
SCHEMBL12962933 0.80 RAB9A (0.72) MEN1KMT2ARAB9AHTTNPC1
SCHEMBL8219739 0.80 MEN1 (0.43) POLBMEN1KMT2AJAK2JAK1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2010-06-24 US disclosed
US-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2010-06-24 US disclosed
US-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2010-06-24 US disclosed
US-20100004243-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-01-07 US disclosed
US-20100004243-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-01-07 US disclosed
US-20100004243-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-01-07 US disclosed
EP-2049516-A2 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2009-04-22 EP disclosed
WO-2008007123-A2 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2008-01-17 WO disclosed
WO-2008007123-A2 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2008-01-17 WO disclosed
EP-1836188-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES Astex Therapeutics Limited (GB) 2007-09-26 EP disclosed
WO-2006070198-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 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 (2 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-20100160324-A1 PYRAZOLE DERIVATIVES AS THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES CDK1, CDK3, CDK13 POLB 460/4885MEN1 1244/4885KMT2A 586/4885
US-20100004243-A1 PHARMACEUTICAL COMPOUNDS CDK1, CDK2, CDK4 POLB 387/4885MEN1 2447/4885KMT2A 736/4885

“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.