SCHEMBL2917409

SCHEMBL2917409

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.44
HTR2C P28335 4/20 0.44
HTR2B P41595 4/20 0.44
SIGMAR1 Q99720 4/20 0.44
DRD2 P14416 3/20 0.44
HIF1A Q16665 2/20 0.39
EPAS1 Q99814 2/20 0.39
APP P05067 2/20 0.39
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
CHRM1 P11229 1/20 0.38
MCHR1 Q99705 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.36
FAAH O00519 1/20 0.36
BRS3 P32247 2/20 0.36
CLPP Q16740 1/20 0.36

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
SCHEMBL2917514 0.90 FAAH (0.37) HTR2AHTR2CHTR2BSIGMAR1DRD2
SCHEMBL2920607 0.82 KMT2A (0.38) NPC1RAB9AKMT2A
SCHEMBL2918051 0.82 BRS3 (0.48) APPBCHEACHEFAAHBRS3
SCHEMBL2913698 0.82 KDM4E (0.40) KMT2A
SCHEMBL2919668 0.81 BRS3 (0.52) APPBCHEACHEKMT2AFAAH
SCHEMBL2920484 0.81 CCNA2 (0.45) NPC1RAB9AKMT2A
SCHEMBL2922382 0.81 NTRK1 (0.49) HIF1AEPAS1APPBCHEACHE
SCHEMBL2915603 0.81 BCHE (0.48) SIGMAR1APPBCHEACHENPC1
SCHEMBL2917407 0.81 CCNA2 (0.50) HTR2AHTR2CHTR2BSIGMAR1DRD2
SCHEMBL2915499 0.81 NPC1 (0.39) NPC1RAB9AKMT2A

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 HTR2A 4554/4885HTR2C 4292/4885HTR2B 4631/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 HTR2A 4168/4885HTR2C 3769/4885HTR2B 4385/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 HTR2A 4554/4885HTR2C 4292/4885HTR2B 4631/4885

“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.