SCHEMBL10241990

SCHEMBL10241990

CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(C(=O)N[C@@H](C)c4cccc(OC)c4)c3)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 16/20 0.49
ROCK1 Q13464 12/20 0.49
PRKG1 Q13976 5/20 0.49
PRKACA P17612 4/20 0.49
CYP2C9 P11712 3/20 0.49
AKT1 P31749 3/20 0.49
PRKACG P22612 2/20 0.49
PRKACB P22694 2/20 0.49
CYP3A4 P08684 6/20 0.47
RPS6KA5 O75582 2/20 0.47
PRKCG P05129 2/20 0.47
CDK1 P06493 2/20 0.47
RPS6KB1 P23443 2/20 0.47
CDK2 P24941 2/20 0.47
MAPK1 P28482 2/20 0.47
AKT2 P31751 2/20 0.47
GSK3A P49840 2/20 0.47
GSK3B P49841 2/20 0.47
IRAK1 P51617 2/20 0.47
PRKX P51817 2/20 0.47

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
SCHEMBL10240167 0.90 CYP3A4 (0.53) ROCK2CYP2C9CYP3A4CYP2C8KCNH2
SCHEMBL2141955 0.90 CYP3A4 (0.50) ROCK2CYP2C9CYP3A4CYP2C8KCNH2
SCHEMBL2141341 0.90 CYP3A4 (0.50) ROCK2CYP2C9CYP3A4CYP2C8KCNH2
SCHEMBL2139414 0.90 CYP3A4 (0.50) ROCK2CYP2C9CYP3A4CYP2C8KCNH2
SCHEMBL10240108 0.87 CYP3A4 (0.52) CYP3A4CYP2C8KCNH2
SCHEMBL10240641 0.85 RXFP1 (0.51) CYP3A4CYP2C8KCNH2
SCHEMBL10241986 0.85 CYP2C8 (0.54) ROCK2CYP3A4CYP2C8KCNH2
SCHEMBL10241966 0.85 CYP3A4 (0.49) CYP3A4CYP2C8KCNH2
SCHEMBL10240281 0.83 CYP2C8 (0.57) CYP3A4CYP2C8KCNH2
SCHEMBL10242007 0.83 CYP2C8 (0.50) CYP3A4CYP2C8KCNH2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2326633-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2015-12-16 EP disclosed
US-8722688-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-13 US disclosed
US-20130197012-A1 Compounds for the Treatment of Hepatitis C BRISTOL MYERS SQUIBB CO (US) 2013-08-01 US disclosed
US-20130197012-A1 Compounds for the Treatment of Hepatitis C BRISTOL MYERS SQUIBB CO (US) 2013-08-01 US disclosed
US-20120316126-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-12-13 US disclosed
US-20120316126-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-12-13 US disclosed
US-8309558-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 US disclosed
US-8309558-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 US disclosed
US-20120201783-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY 2012-08-09 US disclosed
US-20120201783-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY 2012-08-09 US disclosed
US-8048887-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-01 US disclosed
US-8048887-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-01 US disclosed
US-20110256099-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2011-10-20 US disclosed
US-20110256099-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2011-10-20 US disclosed
US-7994171-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-09 US disclosed
US-7994171-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-09 US disclosed
US-20100249094-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-09-30 US disclosed
US-20100249094-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-09-30 US disclosed
US-20100093694-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 US disclosed
US-20100093694-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 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 (6 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-20100249094-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 ROCK2 3539/4885ROCK1 3119/4885PRKG1 2879/4885
US-20120316126-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 ROCK2 3539/4885ROCK1 3119/4885PRKG1 2879/4885
US-20130197012-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 ROCK2 3539/4885ROCK1 3119/4885PRKG1 2879/4885
US-20120201783-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C HAVCR2, HCCS, SLC10A1 ROCK2 3539/4885ROCK1 3119/4885PRKG1 2879/4885
US-20100093694-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 ROCK2 3539/4885ROCK1 3119/4885PRKG1 2879/4885
US-20110256099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 ROCK2 3539/4885ROCK1 3119/4885PRKG1 2879/4885

“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.