SCHEMBL2914201

SCHEMBL2914201

CC(C(=O)Nc1[nH]nc2c1CN(Cc1ccccc1)C2)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.43
CCNA2 P20248 4/20 0.43
CDK2 P24941 4/20 0.43
CCNA1 P78396 4/20 0.43
ACKR3 P25106 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 2/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
APP P05067 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
ATM Q13315 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ELOVL1 Q9BW60 2/20 0.38
KCNQ2 O43526 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
SCHEMBL2919668 0.90 BRS3 (0.52) BRS3MEN1KMT2AAPPBCHE
SCHEMBL2915706 0.90 CCNA2 (0.41) BRS3CCNA2CDK2CCNA1ACKR3
SCHEMBL2918051 0.84 BRS3 (0.48) BRS3CCNA2CDK2CCNA1KDM4E
SCHEMBL2918153 0.82 KMT2A (0.41) CCNA2CDK2CCNA1KMT2AKDM4E
SCHEMBL2915622 0.82 CCNA2 (0.46) CCNA2CDK2CCNA1POLBELOVL1
SCHEMBL2924271 0.82 CCNA2 (0.43) CCNA2CDK2CCNA1MEN1KMT2A
SCHEMBL2915699 0.81 CCNA2 (0.45) CCNA2CDK2CCNA1KDM4EPOLB
SCHEMBL2915603 0.81 BCHE (0.48) CCNA2CDK2CCNA1APPBCHE
SCHEMBL2922382 0.81 NTRK1 (0.49) MEN1KMT2AKDM4EAPPBCHE
SCHEMBL2914203 0.81 CCNA2 (0.53) BRS3CCNA2CDK2CCNA1ACKR3

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 BRS3 2858/4885CCNA2 848/4885CDK2 43/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 BRS3 3055/4885CCNA2 1043/4885CDK2 70/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 BRS3 2858/4885CCNA2 848/4885CDK2 43/4885

“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.