SCHEMBL5867892

SCHEMBL5867892

COc1ccc(C(=O)NC(CN)c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 5/20 0.62
ROCK2 O75116 4/20 0.62
RPS6KA5 O75582 3/20 0.62
AKT1 P31749 3/20 0.62
GSK3B P49841 3/20 0.62
NEK4 P51957 3/20 0.62
PRKCD Q05655 3/20 0.62
PRKG2 Q13237 3/20 0.62
PRKG1 Q13976 3/20 0.62
PKN2 Q16513 3/20 0.62
CLK4 Q9HAZ1 3/20 0.62
MAP4K4 O95819 2/20 0.62
CHEK2 O96017 2/20 0.62
PRKCG P05129 2/20 0.62
CDK1 P06493 2/20 0.62
RPS6KB1 P23443 2/20 0.62
CDK2 P24941 2/20 0.62
MAPK1 P28482 2/20 0.62
AKT2 P31751 2/20 0.62
GSK3A P49840 2/20 0.62

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
SCHEMBL5867888 1.00 ROCK1 (0.62) ROCK1ROCK2RPS6KA5AKT1GSK3B
SCHEMBL9848486 0.85 RPS6KA5 (0.71) ROCK1ROCK2RPS6KA5AKT1GSK3B
SCHEMBL3104277 0.82 ROCK2 (0.78) ROCK1ROCK2RPS6KA5AKT1GSK3B
SCHEMBL28476592 0.81 ALDH1A1 (0.86) ALDH1A1CYP3A4GAANPC1RAB9A
SCHEMBL6214070 0.81 UTS2R (0.57) ALDH1A1CYP3A4GAANPC1UTS2R
SCHEMBL6214067 0.81 UTS2R (0.57) ALDH1A1CYP3A4GAANPC1UTS2R
SCHEMBL6215659 0.80 ALDH1A1 (0.60) ALDH1A1CYP3A4GAANPC1RAB9A
SCHEMBL6213961 0.80 ALDH1A1 (0.60) ALDH1A1CYP3A4GAANPC1RAB9A
SCHEMBL5927045 0.79 ALDH1A1 (0.69) ALDH1A1CYP3A4GAANPC1RAB9A
SCHEMBL6369720 0.79 RAB9A (0.57) MAPK1ALDH1A1CYP3A4GAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7053078-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2006-05-30 US disclosed
EP-1289954-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2005-09-14 EP disclosed
EP-1192132-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2005-09-07 EP disclosed
US-6900196-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-05-31 US disclosed
US-6855715-B1 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-02-15 US disclosed
US-20050032790-A1 For example, 1-(2-Amino-4-chlorobenzoyl-D-phenylglycinyl)-4,4'-bispiperidine; for treatment of thrombosis, emphysema, cirrhosis; antiarthritic agents, anticancer agents, antihistamines LIEBESCHUETZ JOHN WALTER (GB) 2005-02-10 US disclosed
US-20040259868-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-12-23 US disclosed
US-20030109706-A1 Serine pretease inhibitors ELI LILLY AND COMPANY 2003-06-12 US disclosed
EP-1289954-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
EP-1192135-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 EP disclosed
EP-1192132-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 EP disclosed
WO-2001096303-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
WO-2000076970-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 WO disclosed
WO-2000076971-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 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 (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-20030109706-A1 Serine pretease inhibitors PRSS1, SERPINE1, HPN ROCK1 2392/4885ROCK2 2919/4885RPS6KA5 2208/4885
US-20040259868-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 ROCK1 1459/4885ROCK2 2690/4885RPS6KA5 3386/4885
US-20050032790-A1 For example, 1-(2-Amino-4-chlorobenzoyl-D-phenylglycinyl)-4,4'-bispiperidine; for treatment of thrombosis, emphysema, cirrhosis; antiarthritic agents, anticancer agents, antihistamines SERPINB1, SERPINE1, SERPINH1 ROCK1 3325/4885ROCK2 3753/4885RPS6KA5 1774/4885

“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.