SCHEMBL1314945

SCHEMBL1314945

CC1CC(c2ncc(-c3ccc(Br)cc3)[nH]2)N(C(=O)O)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.43
KCNH2 Q12809 2/20 0.43
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
PRCP P42785 7/20 0.40
NR1I2 O75469 1/20 0.39
ABCB11 O95342 1/20 0.39
CYP3A4 P08684 1/20 0.39
OPRK1 P41145 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
F11 P03951 3/20 0.37
F2 P00734 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36

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
SCHEMBL1316575 0.90 CYP2C9 (0.42) CYP2C9KCNH2PRCPNR1I2ABCB11
SCHEMBL2590140 0.87 PRCP (0.43) CYP2C9KCNH2MAPK13MAPK12MAPK11
SCHEMBL1317924 0.85 CYP2C9 (0.45) CYP2C9KCNH2MAPK13MAPK12MAPK11
SCHEMBL1317926 0.85 CYP2C9 (0.45) CYP2C9KCNH2MAPK13MAPK12MAPK11
SCHEMBL15747168 0.85 CYP2C9 (0.45) CYP2C9KCNH2MAPK13MAPK12MAPK11
SCHEMBL748939 0.84 MAPK13 (0.39) CYP2C9KCNH2MAPK13MAPK12MAPK11
SCHEMBL15391417 0.83 CYP2C9 (0.40) CYP2C9KCNH2MAPK13MAPK12MAPK11
SCHEMBL13070484 0.82 MAPK13 (0.44) CYP2C9KCNH2MAPK13MAPK12MAPK11
SCHEMBL1314707 0.81 CYP2C9 (0.39) CYP2C9KCNH2PRCPNR1I2ABCB11
SCHEMBL14655444 0.81 KDM4E (0.36) CYP2C9KCNH2KMT2AKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499127-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-09-05 EP disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
US-9303007-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-05 US disclosed
US-20150322048-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-11-12 US disclosed
US-20150322031-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-11-12 US disclosed
US-20150197499-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-07-16 US disclosed
EP-2640719-A2 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2013-09-25 EP disclosed
US-20130115193-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-09 US disclosed
EP-2499127-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2012-09-19 EP disclosed
WO-2012068234-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-05-24 WO disclosed
US-20110274648-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-10 US disclosed
WO-2011059887-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 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 (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-20170355689-A1 HEPATITIS C VIRUS INHIBITOR HAVCR2, LIPC, PYGL CYP2C9 2691/4885KCNH2 4507/4885MAPK13 3355/4885
US-20150322031-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP2C9 2585/4885KCNH2 4523/4885MAPK13 3291/4885
US-20150197499-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP2C9 2585/4885KCNH2 4523/4885MAPK13 3291/4885
US-20150322048-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP2C9 2585/4885KCNH2 4523/4885MAPK13 3291/4885
US-20110274648-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP2C9 2585/4885KCNH2 4523/4885MAPK13 3291/4885
US-20130115193-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS CYP2C9 2585/4885KCNH2 4523/4885MAPK13 3291/4885

“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.