SCHEMBL2914586

SCHEMBL2914586

O=C(C=Cc1cccs1)Nc1[nH]nc2c1CN(C(=O)Nc1ccccc1)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.48
ALDH1A1 P00352 8/20 0.48
KMT2A Q03164 7/20 0.48
MEN1 O00255 6/20 0.48
SMN1; SMN2 Q16637 10/20 0.46
NPC1 O15118 9/20 0.46
KDM4E B2RXH2 4/20 0.46
MAPT P10636 6/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
PSMD14 O00487 1/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
MAPK1 P28482 2/20 0.43
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
HPGD P15428 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 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
SCHEMBL2914577 1.00 RAB9A (0.48) RAB9AALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL2918604 0.88 RAB9A (0.42) RAB9AALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL2918620 0.88 RAB9A (0.42) RAB9AALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL2918943 0.87 SMN1; SMN2 (0.55) RAB9AALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL2918937 0.87 SMN1; SMN2 (0.55) RAB9AALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL2916432 0.87 MMP1 (0.50) RAB9AKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL2916440 0.87 MMP1 (0.50) RAB9AKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL2923893 0.87 MMP1 (0.50) RAB9AKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL2919664 0.86 SMN1; SMN2 (0.45) RAB9AALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL2919669 0.86 SMN1; SMN2 (0.45) RAB9AALDH1A1KMT2AMEN1SMN1; SMN2

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 RAB9A 1223/4885ALDH1A1 4090/4885KMT2A 2789/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 RAB9A 1491/4885ALDH1A1 3455/4885KMT2A 3607/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 RAB9A 1223/4885ALDH1A1 4090/4885KMT2A 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.