SCHEMBL2917740

SCHEMBL2917740

CC1(C)c2n[nH]c(NC(=O)c3cccc(Br)c3)c2CN1C(=O)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 11/20 0.51
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ATM Q13315 1/20 0.41
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
AURKA O14965 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
PAK4 O96013 1/20 0.38
KMT2A Q03164 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
SCHEMBL2923370 0.86 RAB9A (0.47) NTRK1ALDH1A1NPC1RAB9AATM
SCHEMBL2919860 0.84 NTRK1 (0.49) NTRK1CCNA2CDK2CCNA1AURKA
SCHEMBL2917739 0.84 NTRK1 (0.69) NTRK1CCNA2CDK2CCNA1PAK4
SCHEMBL2917670 0.84 AURKA (0.57) NTRK1ALDH1A1NPC1RAB9ACCNA2
SCHEMBL1983212 0.80 AURKA (0.60) NTRK1NPC1RAB9AAURKA
SCHEMBL2916016 0.80 AURKA (0.47) NTRK1ALDH1A1MAPTNPC1RAB9A
SCHEMBL2922918 0.79 CCNA2 (0.41) NTRK1ALDH1A1CCNA2CDK2CCNA1
SCHEMBL2922789 0.77 NPY5R (0.44) ALDH1A1ATMCCNA2CDK2CCNA1
SCHEMBL1983922 0.76 NTRK1 (0.47) NTRK1CCNA2CDK2CCNA1PAK4
SCHEMBL2917752 0.75 CDK2 (0.51) NTRK1CCNA2CDK2CCNA1AURKA

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 NTRK1 2610/4885ALDH1A1 4090/4885MAPT 1172/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 NTRK1 4175/4885ALDH1A1 3455/4885MAPT 1104/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 NTRK1 2610/4885ALDH1A1 4090/4885MAPT 1172/4885

“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.