SCHEMBL1840774

SCHEMBL1840774

Cc1c(CNC(=O)c2ccc3nc(C(C)(C)C(F)(F)F)ccc3c2)cnn1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.45
MAPT P10636 4/20 0.43
TP53 P04637 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MDM2 Q00987 1/20 0.39
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGDS O60760 1/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
KLKB1 P03952 1/20 0.37
SLC40A1 Q9NP59 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
SCHEMBL2009522 0.92 ROCK2 (0.45) ROCK2MAPTTP53NPSR1RXFP1
SCHEMBL2009523 0.92 ROCK2 (0.45) ROCK2MAPTTP53NPSR1RXFP1
SCHEMBL2008896 0.90 TP53 (0.38) MAPTTP53HPGDALDH1A1HPGDS
SCHEMBL1840633 0.89 HPGD (0.41) ROCK2MAPTTP53SMN1; SMN2HPGD
SCHEMBL2009389 0.81 TP53 (0.39) ROCK2MAPTTP53HPGDALDH1A1
SCHEMBL12571642 0.80 BRPF1 (0.51) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL2011432 0.80 BRPF1 (0.43) MEN1MAPK1KMT2ALMNA
SCHEMBL1844261 0.80 BRPF1 (0.43) MEN1MAPK1KMT2ALMNA
SCHEMBL263695 0.79 SMN1; SMN2 (0.57) MAPTSMN1; SMN2ALDH1A1MEN1MAPK1
SCHEMBL1841616 0.79 ROCK2 (0.52) ROCK2MAPTTP53NPSR1RXFP1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964732-B2 Substituted bicyclocarboxyamide compounds PFIZER INC. (US) 2011-06-21 US claimed
EP-2091944-B1 SUBSTITUTED BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER (US) 2011-05-18 EP claimed
US-20100267769-A1 Substituted Bicyclocarboxyamide Compounds Pfizer, Inc. and Renovis Inc. 2010-10-21 US claimed
US-7964732-B2 Substituted bicyclocarboxyamide compounds PFIZER INC. (US) 2011-06-21 US disclosed
US-7964732-B2 Substituted bicyclocarboxyamide compounds PFIZER INC. (US) 2011-06-21 US disclosed
US-7964732-B2 Substituted bicyclocarboxyamide compounds PFIZER INC. (US) 2011-06-21 US disclosed
EP-2091944-B1 SUBSTITUTED BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER (US) 2011-05-18 EP disclosed
US-20100267769-A1 Substituted Bicyclocarboxyamide Compounds Pfizer, Inc. and Renovis Inc. 2010-10-21 US disclosed
US-20100267769-A1 Substituted Bicyclocarboxyamide Compounds Pfizer, Inc. and Renovis Inc. 2010-10-21 US disclosed
US-20100267769-A1 Substituted Bicyclocarboxyamide Compounds Pfizer, Inc. and Renovis Inc. 2010-10-21 US disclosed
WO-2008059370-A2 SUBSTITUTED BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2008-05-22 WO 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 (1 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-20100267769-A1 Substituted Bicyclocarboxyamide Compounds TRPV1, OPRL1, CNR1 ROCK2 4140/4885MAPT 4245/4885TP53 3844/4885

“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.