SCHEMBL2416971

SCHEMBL2416971

N#Cc1ccccc1NC(=O)c1cc2c(NC(=O)Cc3ccc(F)cc3)n[nH]c2s1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
TTK P33981 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.40
CDK2 P24941 6/20 0.39
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
MAPK14 Q16539 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
HDAC1 Q13547 1/20 0.38
MAOB P27338 1/20 0.38
CCNA2 P20248 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL2417715 0.93 THRB (0.45) THRBTTKCDK2CDK1CDK4
SCHEMBL2414551 0.91 THRB (0.43) THRBPOLBMAPK1CDK2CDK1
SCHEMBL2418845 0.91 THRB (0.43) THRBCDK2CDK1CDK4GAA
SCHEMBL2417823 0.90 THRB (0.42) THRBCDK2GAA
SCHEMBL2417202 0.89 THRB (0.43) THRBPOLBTDP1HDAC1GAA
SCHEMBL2420148 0.88 MAPK1 (0.43) THRBPOLBMAPK1CDK2CDK1
SCHEMBL2416128 0.88 THRB (0.43) THRBPOLBCDK2CCNA2GAA
SCHEMBL2415397 0.86 THRB (0.44) THRBMAPK1CDK2CDK1CDK4
SCHEMBL2421078 0.85 MEN1 (0.47) POLBMAPK1GAA
SCHEMBL2418142 0.84 THRB (0.43) THRBGAALMNARAB9A

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-7541378-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2009-06-02 US claimed
EP-1530573-B1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-03-19 EP claimed
US-8017643-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-09-13 US disclosed
US-20100286223-A1 Condensed Heterocyclic Pyrazole Derivatives as Kinase Inhibitors PFIZER ITALIA S.R.L. (IT) 2010-11-11 US disclosed
US-7786048-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2010-08-31 US disclosed
US-20090233813-A1 Condensed Heterocyclic Pyrazole Derivatives as Kinase Inhibitors PFIZER ITALIA S.R.L. (IT) 2009-09-17 US disclosed
US-7541378-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2009-06-02 US disclosed
EP-1530573-B1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-03-19 EP disclosed
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2006-06-08 US disclosed
EP-1530573-A1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2005-05-18 EP disclosed
WO-2004013146-A1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A (IT) 2004-02-12 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-20100286223-A1 Condensed Heterocyclic Pyrazole Derivatives as Kinase Inhibitors CDK2, MAP3K19, MAP3K15 THRB 2599/4885TTK 54/4885POLB 1758/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 THRB 2599/4885TTK 54/4885POLB 1758/4885

“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.