SCHEMBL2917481

SCHEMBL2917481

COc1ccccc1C(=O)Nc1n[nH]c2c1CN(Cc1ccccc1)C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CDK2 P24941 6/20 0.51
CDC7 O00311 1/20 0.51
MAP4K4 O95819 1/20 0.51
PIM1 P11309 1/20 0.51
GSK3B P49841 1/20 0.51
HIPK2 Q9H2X6 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
BCHE P06276 1/20 0.50
POLB P06746 1/20 0.48
AURKA O14965 5/20 0.48
CCNA2 P20248 5/20 0.48
CCNA1 P78396 5/20 0.48
NTRK1 P04629 1/20 0.46

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
SCHEMBL2924015 0.90 POLB (0.52) MAPTTSHRMAPK1ALDH1A1KDM4E
SCHEMBL2923271 0.90 AURKA (0.48) MAPTTSHRMAPK1ALDH1A1KDM4E
SCHEMBL2923589 0.90 NTRK1 (0.48) MAPTTSHRMAPK1ALDH1A1KDM4E
SCHEMBL2918530 0.87 AURKA (0.50) CDK2BCHEPOLBAURKACCNA2
SCHEMBL2917321 0.87 CCNA2 (0.53) MAPTTSHRMAPK1ALDH1A1KDM4E
SCHEMBL2915164 0.85 BDKRB1 (0.49) CDK2BCHEAURKACCNA2CCNA1
SCHEMBL2915112 0.85 CCNA2 (0.48) MAPTMAPK1KDM4EMEN1KMT2A
SCHEMBL2921595 0.85 AURKA (0.53) MAPTMAPK1ALDH1A1CDK2CDC7
SCHEMBL2918201 0.85 RORC (0.48) KMT2ACDK2AURKACCNA2CCNA1
SCHEMBL2924398 0.84 AURKA (0.65) MAPTKMT2ACDK2MAP4K4AURKA

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 MAPT 1172/4885TSHR 4177/4885MAPK1 77/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 MAPT 1104/4885TSHR 4265/4885MAPK1 264/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 MAPT 1172/4885TSHR 4177/4885MAPK1 77/4885

“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.