SCHEMBL2916841

SCHEMBL2916841

CC(c1ccccc1)N1Cc2n[nH]c(NC(=O)c3cccc4ccccc34)c2C1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 1/20 0.38
PLK1 P53350 1/20 0.38
ABCB1 P08183 1/20 0.38
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
BCHE P06276 1/20 0.37
DEGS1 O15121 1/20 0.37
MEN1 O00255 1/20 0.37
ENPP2 Q13822 1/20 0.37
PARP1 P09874 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL2917142 0.87 HPGD (0.40) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL2922445 0.87 LMNA (0.43) NPC1RAB9AALDH1A1HPGDGAA
SCHEMBL2917698 0.87 ALPL (0.36) NPC1RAB9AALDH1A1MAPTGAA
SCHEMBL2914990 0.86 BDKRB1 (0.46) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL2922855 0.86 NPC1 (0.46) NPC1RAB9AALDH1A1MAPTGAA
SCHEMBL2916222 0.84 CDK2 (0.42) NPC1RAB9AALDH1A1HPGDKMT2A
SCHEMBL2924011 0.84 ALDH1A1 (0.46) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL2919403 0.84 LMNA (0.47) ALDH1A1HPGDKMT2APOLBMEN1
SCHEMBL2925492 0.82 DRD4 (0.52) NPC1RAB9AALDH1A1ABCB1GAA
SCHEMBL2917107 0.82 MAPK1 (0.42) ALDH1A1MAPTGAAPOLB

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 NPC1 2542/4885RAB9A 1223/4885ALDH1A1 4090/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 NPC1 1048/4885RAB9A 1491/4885ALDH1A1 3455/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 NPC1 2542/4885RAB9A 1223/4885ALDH1A1 4090/4885

“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.