SCHEMBL2921497

SCHEMBL2921497

O=C(Cc1cccc(F)c1)Nc1[nH]nc2c1CN(Cc1ccccc1)C2

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.52
KCNQ2 O43526 1/20 0.47
FAAH O00519 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CLPP Q16740 1/20 0.44
FFAR2 O15552 1/20 0.43
NTRK1 P04629 1/20 0.42
BCHE P06276 2/20 0.42
CDK1 P06493 1/20 0.41
CDK4 P11802 1/20 0.41
CDK2 P24941 1/20 0.41
MAPK8 P45983 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PARP14 Q460N5 1/20 0.41
APP P05067 1/20 0.41
ACHE P22303 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
SCHEMBL2922522 0.90 KCNQ2 (0.45) SIGMAR1KCNQ2FAAHMEN1KMT2A
SCHEMBL2918307 0.90 SIGMAR1 (0.50) SIGMAR1KCNQ2FAAHMEN1KMT2A
SCHEMBL2915603 0.90 BCHE (0.48) SIGMAR1BCHECDK2NPC1RAB9A
SCHEMBL2913472 0.88 BCHE (0.54) KCNQ2FAAHMEN1KMT2ACLPP
SCHEMBL2922461 0.86 NPC1 (0.51) FAAHMEN1KMT2ACLPPNTRK1
SCHEMBL2915490 0.85 SIGMAR1 (0.51) SIGMAR1MEN1KMT2ACLPPBCHE
SCHEMBL2921442 0.84 CACNA1G (0.49) FAAHMEN1KMT2ACLPPBCHE
SCHEMBL2918969 0.83 CDK2 (0.56) SIGMAR1KCNQ2FAAHMEN1KMT2A
SCHEMBL2916695 0.83 MAPK1 (0.45) SIGMAR1KCNQ2MEN1KMT2AFFAR2
SCHEMBL2918254 0.83 CDK2 (0.51) SIGMAR1KCNQ2MEN1KMT2AFFAR2

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 SIGMAR1 4515/4885KCNQ2 2090/4885FAAH 4525/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 SIGMAR1 3987/4885KCNQ2 2847/4885FAAH 4570/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 SIGMAR1 4515/4885KCNQ2 2090/4885FAAH 4525/4885

“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.