SCHEMBL4815847

SCHEMBL4815847

CCn1cc(Cc2ccc(C(=O)NCc3ccccn3)cc2Br)c2ccc(C#N)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
POLB P06746 3/20 0.42
GAA P10253 2/20 0.42
PIK3CA P42336 1/20 0.42
GLA P06280 1/20 0.42
HIF1A Q16665 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
PDE10A Q9Y233 1/20 0.41
ROCK2 O75116 1/20 0.41
CA2 P00918 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
SCN9A Q15858 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40

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
SCHEMBL4809051 0.82 MEN1 (0.44) KDM4EALDH1A1HPGDPIK3CAHSD17B10
SCHEMBL4813751 0.80 PLA2G4A (0.46)
SCHEMBL4809830 0.75 PLA2G4A (0.37) POLB
SCHEMBL4805981 0.75 ROCK2 (0.38) KDM4EALDH1A1HPGDROCK2IDO1
SCHEMBL4808301 0.75 PGR (0.39) POLBLMNA
SCHEMBL4815144 0.73 PPARG (0.41) KDM4EALDH1A1HPGDPOLBGAA
SCHEMBL4816072 0.73 HDAC6 (0.44) ALDH1A1
SCHEMBL4812552 0.73 PDE10A (0.42) KDM4EALDH1A1HPGDPOLBGAA
SCHEMBL4813940 0.72 ROCK2 (0.40) KDM4EALDH1A1HPGDROCK2
SCHEMBL4811010 0.71 KMT2A (0.44) KDM4EALDH1A1HPGDPIK3CAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417063-B2 Bicyclic heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
EP-1740538-A4 BICYCLIC HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-12-19 EP disclosed
EP-1740538-A2 BICYCLIC HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-01-10 EP disclosed
WO-2005099709-A2 BICYCLIC HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-27 WO disclosed
US-20050228000-A1 of the coagulation cascade or contact activation system: thrombin, factor Xa, factor XIa, factor IXa, factor VIIa or plasma kallikrein; e.g. -(6-carbamimidoyl-1H-indol-3-ylmethyl)-4-methoxy-biphenyl-2-carboxylic acid; anticoagulant, antiinflammatory agent BRISTOL-MYERS SQUIBB COMPANY 2005-10-13 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 (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-20050228000-A1 of the coagulation cascade or contact activation system: thrombin, factor Xa, factor XIa, factor IXa, factor VIIa or plasma kallikrein; e.g. -(6-carbamimidoyl-1H-indol-3-ylmethyl)-4-methoxy-biphenyl-2-carboxylic acid; anticoagulant, antiinflammatory agent F12, F11, F2 KDM4E 316/4885ALDH1A1 3830/4885HPGD 3057/4885

“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.