SCHEMBL2913698

SCHEMBL2913698

O=C(C#Cc1ccccc1)Nc1[nH]nc2c1CN(C(=O)NCc1ccccc1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NAMPT P43490 4/20 0.39
CCNA2 P20248 2/20 0.37
CDK2 P24941 2/20 0.37
CCNA1 P78396 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.36
AURKA O14965 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
PIP5K1C O60331 1/20 0.35
TPSAB1 Q15661 1/20 0.35
TP53 P04637 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL2924461 0.90 CCNA2 (0.37) MEN1KMT2ANAMPTCCNA2CDK2
SCHEMBL2924260 0.86 CCNA2 (0.44) MEN1KMT2ANAMPTCCNA2CDK2
SCHEMBL2920484 0.84 CCNA2 (0.45) MEN1KMT2ACCNA2CDK2CCNA1
SCHEMBL2916708 0.83 CCNA2 (0.42) MEN1KMT2ACCNA2CDK2CCNA1
SCHEMBL2915445 0.83 KDM4E (0.47) KDM4EMEN1KMT2ANAMPTCCNA2
SCHEMBL2914465 0.83 AURKA (0.41) MEN1KMT2ANAMPTCCNA2CDK2
SCHEMBL2918557 0.83 KDM4E (0.45) KDM4EMEN1KMT2ANAMPTCCNA2
SCHEMBL2920111 0.83 NTRK1 (0.44) KDM4EMEN1KMT2ANAMPTCCNA2
SCHEMBL2913696 0.82 CCNA2 (0.55) KDM4ECCNA2CDK2CCNA1MAPK1
SCHEMBL2917514 0.82 FAAH (0.37) MEN1KMT2ANAMPTCCNA2CDK2

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 KDM4E 2358/4885MEN1 3952/4885KMT2A 2789/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 KDM4E 3487/4885MEN1 4143/4885KMT2A 3607/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 KDM4E 2358/4885MEN1 3952/4885KMT2A 2789/4885

“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.