SCHEMBL787481

SCHEMBL787481

Brc1ccc(-c2ccc(Br)nc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.44
CHRNB2 P17787 3/20 0.40
CHRNA4 P43681 3/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
FDFT1 P37268 1/20 0.38
PIK3CD O00329 1/20 0.37
CYP11B1 P15538 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL29740319 1.00 CYP19A1 (0.44) CYP19A1CHRNB2CHRNA4NPC1RAB9A
SCHEMBL16520501 0.89 NPC1 (0.54) CYP19A1CHRNB2CHRNA4NPC1RAB9A
SCHEMBL30930597 0.87 NPC1 (0.57) CYP19A1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL584462 0.87 NPC1 (0.57) CYP19A1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL7280526 0.84 CYP19A1 (0.58) CYP19A1SMN1; SMN2PIK3CDMAPT
SCHEMBL1000061 0.84 CYP2A6 (0.48) CYP19A1CHRNB2CHRNA4NPC1RAB9A
SCHEMBL2824810 0.84 PDGFRB (0.40) CYP19A1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL15901316 0.84 METAP2 (0.38) CYP19A1CHRNB2CHRNA4NPC1RAB9A
SCHEMBL27814493 0.84 MEN1 (0.58) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL17157352 0.84 LTA4H (0.48) NPC1RAB9ASMN1; SMN2PIK3CDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025028487-A1 MATERIAL FOR METAL PATTERNING, HETEROCYCLIC COMPOUND, THIN FILM FOR METAL PATTERNING, ORGANIC ELECTROLUMINESCENT ELEMENT, ELECTRONIC DEVICE, AND METHOD FOR FORMING METAL PATTERN 東ソー株式会社 2025-02-06 WO disclosed
US-20220185785-A1 INHIBITORS OF CD40-CD154 BINDING TONIX Pharmaceuticals Holding Corp (US) 2022-06-16 US disclosed
EP-3952853-A1 INHIBITORS OF CD40-CD154 BINDING Tonix Pharmaceuticals Holding Corp. (US) 2022-02-16 EP disclosed
WO-2020210831-A1 INHIBITORS OF CD40-CD154 BINDING TONIX Pharmaceuticals Holding Corp (US) 2020-10-15 WO disclosed
WO-2020210831-A1 INHIBITORS OF CD40-CD154 BINDING TONIX Pharmaceuticals Holding Corp (US) 2020-10-15 WO disclosed
EP-2616457-B1 SUBSTITUTED BIPYRIDINES FOR USE IN ORGANIC LIGHT-EMITTING DEVICES NITTO DENKO CORP (JP) 2016-06-22 EP disclosed
EP-2616457-B1 SUBSTITUTED BIPYRIDINES FOR USE IN ORGANIC LIGHT-EMITTING DEVICES NITTO DENKO CORP (JP) 2016-06-22 EP disclosed
US-9328086-B2 Substituted bipyridines for use in organic light-emitting devices NITTO DENKO CORPORATION (JP) 2016-05-03 US disclosed
US-9328086-B2 Substituted bipyridines for use in organic light-emitting devices NITTO DENKO CORPORATION (JP) 2016-05-03 US disclosed
US-9328086-B2 Substituted bipyridines for use in organic light-emitting devices NITTO DENKO CORPORATION (JP) 2016-05-03 US disclosed
EP-2616457-A1 SUBSTITUTED BIPYRIDINES FOR USE IN ORGANIC LIGHT-EMITTING DEVICES Nitto Denko Corporation (JP) 2013-07-24 EP disclosed
US-20120179089-A1 SUBSTITUTED BIPYRIDINES FOR USE IN ORGANIC LIGHT-EMITTING DEVICES NITTO DENKO CORPORATION (JP) 2012-07-12 US disclosed
US-20120179089-A1 SUBSTITUTED BIPYRIDINES FOR USE IN ORGANIC LIGHT-EMITTING DEVICES NITTO DENKO CORPORATION (JP) 2012-07-12 US disclosed
US-20120179089-A1 SUBSTITUTED BIPYRIDINES FOR USE IN ORGANIC LIGHT-EMITTING DEVICES NITTO DENKO CORPORATION (JP) 2012-07-12 US disclosed
WO-2012037269-A1 SUBSTITUTED BIPYRIDINES FOR USE IN ORGANIC LIGHT-EMITTING DEVICES NITTO DENKO CORPORATION (JP) 2012-03-22 WO disclosed
WO-2012037269-A1 SUBSTITUTED BIPYRIDINES FOR USE IN ORGANIC LIGHT-EMITTING DEVICES NITTO DENKO CORPORATION (JP) 2012-03-22 WO disclosed
US-20110123877-A1 CATALYST FOR OXYGEN REDUCTION ELECTRODE AND OXYGEN REDUCTION ELECTRODE NEC CORPORATION (JP) 2011-05-26 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 (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-20220185785-A1 INHIBITORS OF CD40-CD154 BINDING CD40LG, CD40, CD4 CYP19A1 2910/4885CHRNB2 2936/4885CHRNA4 844/4885
US-20120179089-A1 SUBSTITUTED BIPYRIDINES FOR USE IN ORGANIC LIGHT-EMITTING DEVICES BRD9, PIR, BRD2 CYP19A1 4488/4885CHRNB2 523/4885CHRNA4 157/4885

“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.