SCHEMBL2925083

SCHEMBL2925083

O=C(Nc1[nH]nc2c1CN(C(=O)c1ccccc1)CC2)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
CCNA1 P78396 1/20 0.46
PTGS1 P23219 1/20 0.46
MTHFD2 P13995 4/20 0.45
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CYP2C9 P11712 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
NAMPT P43490 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL2920398 0.94 TACR3 (0.47) AURKACCNA2CDK2CCNA1MTHFD2
SCHEMBL2919341 0.92 AURKA (0.48) AURKACCNA2CDK2CCNA1MTHFD2
SCHEMBL2924080 0.92 SLC6A7 (0.43) AURKACCNA2CDK2CCNA1PTGS1
SCHEMBL2922004 0.90 ALDH1A1 (0.52) AURKACCNA2CDK2CCNA1PTGS1
SCHEMBL2920062 0.89 PTGS1 (0.45) AURKACCNA2CDK2CCNA1PTGS1
SCHEMBL2917776 0.89 CCNA2 (0.57) AURKACCNA2CDK2CCNA1NPC1
SCHEMBL2920248 0.88 CCNA2 (0.48) CCNA2CDK2CCNA1NAMPT
SCHEMBL2922776 0.88 NPC1 (0.48) PTGS1NPC1RAB9AHDAC8MEN1
SCHEMBL2913308 0.86 PTPN2 (0.46) PTGS1MTHFD2
SCHEMBL2923157 0.85 AURKA (0.51) AURKACCNA2CDK2CCNA1NPC1

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 8 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-8273765-B2 Bicyclo-pyrazoles and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2012-09-25 US 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 AURKA 347/4885CCNA2 848/4885CDK2 43/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 AURKA 600/4885CCNA2 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 AURKA 347/4885CCNA2 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.