SCHEMBL2915743

SCHEMBL2915743

CC(c1ccccc1)N1Cc2n[nH]c(NC(=O)Cc3ccsc3)c2C1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
SIGMAR1 Q99720 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
AURKA O14965 2/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
TP53 P04637 1/20 0.36
GLS O94925 1/20 0.35
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35

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
SCHEMBL2922898 0.89 CCNA2 (0.45) POLBAURKACCNA2CDK2CCNA1
SCHEMBL2919425 0.85 CYP3A4 (0.47) KMT2AMEN1AURKACCNA2CDK2
SCHEMBL2920314 0.84 PKM (0.47) MAPTPOLBL3MBTL1NPC1TDP1
SCHEMBL2916707 0.84 HPGD (0.42) NPC1RAB9AAURKACCNA2CDK2
SCHEMBL2922520 0.83 CNR2 (0.43) MAPTL3MBTL1SIGMAR1NPC1RAB9A
SCHEMBL2920047 0.81 CCNA2 (0.43) NPC1RAB9AKMT2AMEN1CCNA2
SCHEMBL2916141 0.81 SIGMAR1 (0.52) MAPTPOLBL3MBTL1SIGMAR1NPC1
SCHEMBL2922083 0.80 TAS1R3 (0.37) MAPTNPC1RAB9ATDP1KMT2A
SCHEMBL2917107 0.80 MAPK1 (0.42) MAPTPOLBTDP1AURKACCNA2
SCHEMBL2923624 0.80 POLB (0.43) MAPTPOLBL3MBTL1NPC1RAB9A

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 MAPT 1172/4885POLB 1334/4885L3MBTL1 3999/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 MAPT 1104/4885POLB 2264/4885L3MBTL1 3671/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 MAPT 1172/4885POLB 1334/4885L3MBTL1 3999/4885

“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.