SCHEMBL2920527

SCHEMBL2920527

COc1cccc(C(=O)Nc2[nH]nc3c2CN(C(C)=O)C3)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 4/20 0.51
CDK2 P24941 4/20 0.51
CCNA1 P78396 4/20 0.51
AURKA O14965 3/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 2/20 0.48
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
EP300 Q09472 1/20 0.47
CREBBP Q92793 1/20 0.47
TSHR P16473 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TP53 P04637 2/20 0.45
HTT P42858 1/20 0.45
GRM5 P41594 1/20 0.45

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
SCHEMBL2915725 0.91 SMN1; SMN2 (0.49) CCNA2CDK2CCNA1SMN1; SMN2ALDH1A1
SCHEMBL2919785 0.90 NPC1 (0.53) CCNA2CDK2CCNA1AURKASMN1; SMN2
SCHEMBL2921378 0.89 CCNA2 (0.52) CCNA2CDK2CCNA1AURKASMN1; SMN2
SCHEMBL2922361 0.88 NAMPT (0.50) CCNA2CDK2CCNA1SMN1; SMN2ALDH1A1
SCHEMBL2921804 0.87 NPC1 (0.56) SMN1; SMN2ALDH1A1MEN1KMT2ANPC1
SCHEMBL2919176 0.87 KCNK3 (0.48) CCNA2CDK2CCNA1SMN1; SMN2ALDH1A1
SCHEMBL2915172 0.87 CCNA2 (0.66) CCNA2CDK2CCNA1AURKASMN1; SMN2
SCHEMBL2922009 0.86 CCNA2 (0.52) CCNA2CDK2CCNA1AURKAMEN1
SCHEMBL2919387 0.85 CCNA2 (0.67) CCNA2CDK2CCNA1AURKASMN1; SMN2
SCHEMBL2919392 0.85 CCNA2 (0.51) CCNA2CDK2CCNA1AURKAALDH1A1

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 CCNA2 848/4885CDK2 43/4885CCNA1 793/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 CCNA2 1043/4885CDK2 70/4885CCNA1 1090/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 CCNA2 848/4885CDK2 43/4885CCNA1 793/4885

“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.