SCHEMBL2918752

SCHEMBL2918752

Cc1cccc(C(=O)Nc2[nH]nc3c2CN(Cc2ccccc2)C3)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
NTRK1 P04629 3/20 0.49
OPRK1 P41145 1/20 0.43
NPC1 O15118 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KCNK3 O14649 1/20 0.43
POLB P06746 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
FAAH O00519 1/20 0.43
FOXO1 Q12778 1/20 0.43
CHRM3 P20309 1/20 0.43
BCHE P06276 1/20 0.42
CLPP Q16740 1/20 0.42
FFAR1 O14842 1/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL2922908 0.90 RAB9A (0.47) RAB9AMAPTKDM4EALDH1A1NTRK1
SCHEMBL2922382 0.90 NTRK1 (0.49) RAB9AMAPTKDM4EALDH1A1NTRK1
SCHEMBL2921853 0.89 NTRK1 (0.49) RAB9AMAPTKDM4EALDH1A1NTRK1
SCHEMBL2923428 0.89 BCHE (0.50) RAB9AMAPTKDM4EALDH1A1NTRK1
SCHEMBL2922461 0.88 NPC1 (0.51) RAB9AALDH1A1NTRK1NPC1MEN1
SCHEMBL2916396 0.87 SMN1; SMN2 (0.57) RAB9AMAPTKDM4ENTRK1NPC1
SCHEMBL2913472 0.86 BCHE (0.54) RAB9AMAPTKDM4EALDH1A1NTRK1
SCHEMBL2914993 0.85 NTRK1 (0.51) NTRK1OPRK1FAAHCHRM3CLPP
SCHEMBL2917343 0.85 BCHE (0.52) RAB9ANTRK1NPC1KMT2ABCHE
SCHEMBL2920076 0.85 MEN1 (0.46) RAB9AMAPTKDM4EALDH1A1NTRK1

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 RAB9A 1223/4885MAPT 1172/4885KDM4E 2358/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 RAB9A 1491/4885MAPT 1104/4885KDM4E 3487/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 RAB9A 1223/4885MAPT 1172/4885KDM4E 2358/4885

“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.