SCHEMBL1852407

SCHEMBL1852407

Cc1cc(O)c(C#N)cc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
TTR P02766 1/20 0.39
ALB P02768 1/20 0.39
KMT2A Q03164 1/20 0.39
GPR35 Q9HC97 2/20 0.37
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
G6PD P11413 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL27819091 0.87 TSHR (0.41) MEN1TTRALBKMT2AGPR35
SCHEMBL30702008 0.80 TSHR (0.39) MEN1TTRALBKMT2AGPR35
SCHEMBL1343876 0.80 TSHR (0.39) MEN1TTRALBKMT2AGPR35
SCHEMBL1343737 0.78 TSHR (0.41) MEN1TTRALBKMT2AGPR35
SCHEMBL7714672 0.76 KDM4E (0.48) MEN1TTRALBKMT2AGPR35
SCHEMBL23451204 0.75 ESR1 (0.41) TSHRESR1ESR2AREGFR
SCHEMBL178611 0.75 TRPV4 (0.45) TSHR
SCHEMBL12414780 0.75 TSHR (0.41) MEN1TTRALBKMT2ATSHR
SCHEMBL9476911 0.75 MEN1 (0.39) MEN1TTRALBKMT2AGPR35
SCHEMBL23754017 0.75 TRPV4 (0.39) TSHRKDM4EALDH1A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9399645-B2 Inhibitors of HIV replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-07-26 US disclosed
US-20150011531-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-08 US disclosed
EP-2097419-B1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS EXELIXIS INC (US) 2011-05-25 EP disclosed
CN-101965351-A Benzofuran pyrimidinones EXELIXIS INC 2011-02-02 CN disclosed
US-20090247559-A1 Benzofuropyrimidinones EXELIXIS, INC. (US) 2009-10-01 US disclosed
EP-2097419-A1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS Exelixis, Inc. (US) 2009-09-09 EP disclosed
WO-2009086264-A1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS EXELIXIS, INC. (US) 2009-07-09 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 (2 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-20090247559-A1 Benzofuropyrimidinones F12, BRI3BP, BRD1 MEN1 1111/4885TTR 3424/4885ALB 3342/4885
US-20150011531-A1 INHIBITORS OF HIV REPLICATION MCM3, REV1, POLR2E MEN1 3015/4885TTR 3669/4885ALB 4480/4885

“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.