SCHEMBL2918913

SCHEMBL2918913

O=C(Cc1ccsc1)Nc1[nH]nc2c1CN(C(=O)NC(=O)c1ccccc1)C2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.43
POLB P06746 2/20 0.41
CCNA2 P20248 4/20 0.41
CDK2 P24941 4/20 0.41
CCNA1 P78396 4/20 0.41
NAMPT P43490 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
GLS O94925 1/20 0.35

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
SCHEMBL2916922 0.90 CCNA2 (0.50) AURKAPOLBCCNA2CDK2CCNA1
SCHEMBL2915986 0.88 CCNA2 (0.54) AURKAPOLBCCNA2CDK2CCNA1
SCHEMBL2915324 0.86 ITGA4 (0.44) AURKAPOLBCCNA2CDK2CCNA1
SCHEMBL2920450 0.86 KCNK3 (0.44) AURKACCNA2CDK2CCNA1NAMPT
SCHEMBL2920064 0.85 CCNA2 (0.44) AURKAPOLBCCNA2CDK2CCNA1
SCHEMBL2924928 0.85 CCNA2 (0.44) AURKAPOLBCCNA2CDK2CCNA1
SCHEMBL2915185 0.84 ALDH1A1 (0.46) AURKAPOLBNAMPTL3MBTL1NPC1
SCHEMBL2918815 0.84 AURKA (0.42) AURKAPOLBCCNA2CDK2CCNA1
SCHEMBL2918915 0.84 CCNA2 (0.61) AURKACCNA2CDK2CCNA1
SCHEMBL2921188 0.83 NTRK1 (0.45) AURKACCNA2CDK2CCNA1NAMPT

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 AURKA 347/4885POLB 1334/4885CCNA2 848/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 AURKA 600/4885POLB 2264/4885CCNA2 1043/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 AURKA 347/4885POLB 1334/4885CCNA2 848/4885

“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.