SCHEMBL8436504

SCHEMBL8436504

COCCOc1cc(Br)ccc1C#N

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
AR P10275 5/20 0.46
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
AAK1 Q2M2I8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
SRC P12931 2/20 0.37
IDH1 O75874 1/20 0.37
FGFR4 P22455 1/20 0.37
FBP1 P09467 1/20 0.37

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
SCHEMBL89415 0.92 EGFR (0.41) EGFRERBB2ARMAOAMAOB
SCHEMBL430108 0.90 EGFR (0.47) EGFRERBB2ARMAOAMAOB
SCHEMBL2774024 0.84 HPGD (0.49) EGFRARMAOAMAOBSMN1; SMN2
SCHEMBL13581220 0.83 ALDH1A1 (0.55) ARSMN1; SMN2
SCHEMBL30108128 0.82 PDE4B (0.46) ARMAOAMAOBAAK1IDH1
SCHEMBL16279970 0.82 PDE4B (0.46) ARMAOAMAOBAAK1IDH1
SCHEMBL14820128 0.82 MAOB (0.42) ARMAOAMAOBAAK1
SCHEMBL8432254 0.82 AR (0.47) AR
SCHEMBL29363898 0.81 EGFR (0.44) EGFRERBB2ARMAOAMAOB
SCHEMBL746850 0.81 EGFR (0.44) EGFRERBB2ARMAOAMAOB

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-3041821-B1 BICYLIC COMPOUNDS AS MODULATORS OF RORGAMMA BOEHRINGER INGELHEIM INT (DE) 2018-05-30 EP disclosed
US-9745267-B2 Compounds as modulators of RORC BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-08-29 US disclosed
US-9745297-B2 Compounds as modulators of RORC BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-08-29 US disclosed
US-9745297-B2 Compounds as modulators of RORC BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-08-29 US disclosed
US-9745267-B2 Compounds as modulators of RORC BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-08-29 US disclosed
US-20160251310-A1 COMPOUNDS AS MODULATORS OF RORC BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-09-01 US disclosed
US-20160251310-A1 COMPOUNDS AS MODULATORS OF RORC BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-09-01 US disclosed
US-20160159791-A1 COMPOUNDS AS MODULATORS OF RORC BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-06-09 US disclosed
US-20160159791-A1 COMPOUNDS AS MODULATORS OF RORC BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-06-09 US disclosed
WO-2015035032-A1 BICYLIC COMPOUNDS AS MODULATORS OF RORGAMMA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-03-12 WO disclosed
WO-2015017335-A1 AZAINDOLE COMPOUNDS AS MODULATORS OF RORC BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-05 WO disclosed
US-7368449-B2 2-alkynyl- and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-05-06 US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 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 (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-20160159791-A1 COMPOUNDS AS MODULATORS OF RORC RORC, RORB, RORA EGFR 2578/4885ERBB2 2359/4885AR 418/4885
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 EGFR 489/4885ERBB2 309/4885AR 1363/4885
US-20160251310-A1 COMPOUNDS AS MODULATORS OF RORC RORC, RORB, RORA EGFR 2525/4885ERBB2 2327/4885AR 429/4885

“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.