SCHEMBL2917812

SCHEMBL2917812

Cc1ccccc1C(=O)Nc1[nH]nc2c1CN(C(N)=O)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.43
HPGD P15428 1/20 0.41
TYK2 P29597 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
POLB P06746 1/20 0.40
GAA P10253 3/20 0.39
HTT P42858 2/20 0.39
FLT3 P36888 1/20 0.39
CCR8 P51685 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL2915512 0.90 CCNA2 (0.46) ALPLHPGDTYK2CCNA2CDK2
SCHEMBL2914413 0.89 CCNA2 (0.40) ALPLHPGDCCNA2CDK2CCNA1
SCHEMBL2923770 0.87 KDM4E (0.41) ALPLHPGDCCNA2CDK2CCNA1
SCHEMBL4027187 0.87 CCNA2 (0.39) CCNA2CDK2CCNA1L3MBTL1POLB
SCHEMBL2916145 0.86 CCNA2 (0.43) HPGDTYK2CCNA2CDK2CCNA1
SCHEMBL2922702 0.86 NPC1 (0.47) HPGDCCNA2CDK2CCNA1L3MBTL1
SCHEMBL2923092 0.86 HPGD (0.50) ALPLHPGDTYK2CCNA2CDK2
SCHEMBL2921371 0.86 ADORA3 (0.45) GAARXFP1SMN1; SMN2NPC1RAB9A
SCHEMBL2920561 0.84 TMPRSS2 (0.43) CCNA2CDK2CCNA1POLBSMN1; SMN2
SCHEMBL4019869 0.84 CCNA2 (0.41) ALPLCCNA2CDK2CCNA1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320531-B1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2010-09-08 EP claimed
US-7541354-B2 Bicyclo-pyrazoles PFIZER ITALIA S.R.L. (IT) 2009-06-02 US claimed
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them NERVIANO MEDICAL SCIENCES S.R.L (IT) 2003-09-11 US claimed
US-8273765-B2 Bicyclo-pyrazoles and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2012-09-25 US disclosed
EP-1320531-B1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2010-09-08 EP disclosed
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them PFIZER ITALIA S.R.L. (IT) 2009-09-03 US disclosed
US-7541354-B2 Bicyclo-pyrazoles PFIZER ITALIA S.R.L. (IT) 2009-06-02 US disclosed
US-7531531-B2 Method of treating diseases associated with altered kinase activity with bicyclo-pyrazoles PFIZER ITALIA S.R.L. (IT) 2009-05-12 US disclosed
US-20070191386-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2007-08-16 US disclosed
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them NERVIANO MEDICAL SCIENCES S.R.L (IT) 2003-09-11 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 (3 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-20070191386-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 ALPL 4474/4885HPGD 1882/4885TYK2 476/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 ALPL 4671/4885HPGD 1382/4885TYK2 541/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 ALPL 4474/4885HPGD 1882/4885TYK2 476/4885

“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.