SCHEMBL2921188

SCHEMBL2921188

O=C(Cc1cccc(F)c1)Nc1[nH]nc2c1CN(C(=O)NC(=O)c1ccccc1)C2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.45
NAMPT P43490 5/20 0.43
KCNQ2 O43526 1/20 0.43
CDK2 P24941 5/20 0.42
CCNA2 P20248 4/20 0.42
CCNA1 P78396 4/20 0.42
AURKA O14965 2/20 0.40
FFAR2 O15552 1/20 0.39
FAAH O00519 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
PARP14 Q460N5 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL2916922 0.91 CCNA2 (0.50) NTRK1NAMPTCDK2CCNA2CCNA1
SCHEMBL2920064 0.90 CCNA2 (0.44) NTRK1NAMPTKCNQ2CDK2CCNA2
SCHEMBL2923565 0.89 NTRK1 (0.45) NTRK1KCNQ2CDK2CCNA2CCNA1
SCHEMBL2918969 0.88 CDK2 (0.56) NAMPTKCNQ2CDK2CCNA2CCNA1
SCHEMBL2914127 0.87 NAMPT (0.48) NTRK1NAMPTKCNQ2CDK2CCNA2
SCHEMBL2919482 0.87 AURKA (0.50) NTRK1NAMPTCDK2CCNA2CCNA1
SCHEMBL2922285 0.85 NAMPT (0.48) NTRK1NAMPTKCNQ2CDK2CCNA2
SCHEMBL2923511 0.84 CCNA2 (0.48) NTRK1NAMPTCDK2CCNA2CCNA1
SCHEMBL2924928 0.84 CCNA2 (0.44) CDK2CCNA2CCNA1AURKA
SCHEMBL2918254 0.84 CDK2 (0.51) NAMPTKCNQ2CDK2CCNA2CCNA1

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 12 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
EP-1320531-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-06-25 EP disclosed
WO-2002012242-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2002-02-14 WO 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 2610/4885NAMPT 1064/4885KCNQ2 2090/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 NTRK1 4175/4885NAMPT 1162/4885KCNQ2 2847/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 NTRK1 2610/4885NAMPT 1064/4885KCNQ2 2090/4885

“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.