SCHEMBL2913884

SCHEMBL2913884

O=C(C=Cc1cccs1)Nc1n[nH]c2c1CN(CCc1ccccc1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.47
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
CCNA2 P20248 3/20 0.43
CDK2 P24941 3/20 0.43
CCNA1 P78396 3/20 0.43
RAB9A P51151 8/20 0.43
NPC1 O15118 7/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
KDM4E B2RXH2 3/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
AURKA O14965 2/20 0.43
PSMD14 O00487 1/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
ALDH1A1 P00352 5/20 0.42
POLB P06746 2/20 0.41

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
SCHEMBL2925151 0.91 SMN1; SMN2 (0.48) SMN1; SMN2TAS1R3TAS1R1CCNA2CDK2
SCHEMBL2918710 0.88 CCNA2 (0.48) SMN1; SMN2CCNA2CDK2CCNA1RAB9A
SCHEMBL2916082 0.88 CCNA2 (0.48) SMN1; SMN2CCNA2CDK2CCNA1RAB9A
SCHEMBL2918683 0.86 CCNA2 (0.46) SMN1; SMN2CCNA2CDK2CCNA1KMT2A
SCHEMBL2922086 0.85 CCNA2 (0.42) TAS1R3TAS1R1CCNA2CDK2CCNA1
SCHEMBL2918941 0.84 SMN1; SMN2 (0.55) SMN1; SMN2TAS1R3TAS1R1CCNA2CDK2
SCHEMBL2913887 0.83 SMN1; SMN2 (0.47) SMN1; SMN2TAS1R3TAS1R1RAB9ANPC1
SCHEMBL2919801 0.83 PRKCB (0.49) SMN1; SMN2CCNA2CDK2CCNA1RAB9A
SCHEMBL2921733 0.82 CCNA2 (0.44) CCNA2CDK2CCNA1RAB9ANPC1
SCHEMBL2914886 0.82 SMN1; SMN2 (0.45) SMN1; SMN2TAS1R3TAS1R1CCNA2CDK2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4555547-B2 2010-10-06 JP claimed
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
JP-2004505977-A 2004-02-26 JP 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
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 claimed
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 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 SMN1; SMN2 3514/4885TAS1R3 4503/4885TAS1R1 4427/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 SMN1; SMN2 2568/4885TAS1R3 4401/4885TAS1R1 4395/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 SMN1; SMN2 3514/4885TAS1R3 4503/4885TAS1R1 4427/4885

“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.