SCHEMBL3826142

SCHEMBL3826142

Cc1cc(Br)ncc1C#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.37
TSHR P16473 1/20 0.35
ABL1 P00519 1/20 0.35
KDR P35968 1/20 0.35
EGFR P00533 4/20 0.35
ERBB2 P04626 4/20 0.35
CSNK1A1 P48729 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
HTT P42858 1/20 0.33
LRRK2 Q5S007 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL29505699 0.78 UHRF1 (0.46) S1PR2TSHRCSNK1A1CLK4L3MBTL1
SCHEMBL317517 0.78 UHRF1 (0.46) S1PR2TSHRCSNK1A1CLK4L3MBTL1
SCHEMBL21927619 0.77 EGLN2 (0.41) S1PR2TSHRCSNK1A1CLK4L3MBTL1
SCHEMBL20845910 0.76 RECQL (0.47) S1PR2EGFRERBB2IDH1SRC
SCHEMBL30133728 0.76 RECQL (0.47) S1PR2EGFRERBB2IDH1SRC
SCHEMBL20642285 0.75 S1PR2 (0.37) S1PR2TSHRKDRCSNK1A1CLK4
SCHEMBL14068317 0.75 S1PR2 (0.37) S1PR2TSHRKDREGFRERBB2
SCHEMBL1230790 0.75 ABL1 (0.35) ABL1KDRCSNK1A1CLK4HTT
SCHEMBL11744305 0.75 S1PR2 (0.40) S1PR2TSHRKDREGFRERBB2
SCHEMBL286704 0.75 S1PR2 (0.46) S1PR2TSHREGFRERBB2CSNK1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327390-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2024-10-03 US disclosed
EP-3929194-B1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2024-04-17 EP disclosed
CN-110139862-B Substituted bicyclic heterocyclic derivatives useful as ROMK channel inhibitors 百时美施贵宝公司 2024-01-16 CN disclosed
US-RE49700-E1 Substituted nitrogen containing compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-17 US disclosed
US-RE49700-E1 Substituted nitrogen containing compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-17 US disclosed
CN-110678463-B Substituted nitrogen-containing compounds 百时美施贵宝公司 2023-06-06 CN disclosed
US-20230124468-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-04-20 US disclosed
US-20230077268-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. 2023-03-09 US disclosed
EP-3571198-B1 BICYCLIC AMINES AS JAK KINASE INHIBITORS LEO PHARMA AS (DK) 2023-02-01 EP disclosed
CN-111333626-B Phenyl pyrrolidine compounds and uses thereof 武汉人福创新药物研发中心有限公司 2022-10-18 CN disclosed
EP-3027625-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2016-06-08 EP disclosed
US-20160090360-A1 SYNTHESIS OF BACE INHIBITORS HOFFMANN LA ROCHE (US) 2016-03-31 US disclosed
EP-2989081-A1 SYNTHESIS OF BACE INHIBITORS F. Hoffmann-La Roche AG (CH) 2016-03-02 EP disclosed
WO-2015017305-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP (US) 2015-02-05 WO disclosed
WO-2014179564-A1 THIAZALOPYRROLIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, INC. (US) 2014-11-06 WO disclosed
WO-2014173917-A1 SYNTHESIS OF BACE1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-10-30 WO disclosed
EP-1999110-B1 PROCESS FOR PREPARING l-HALO-2,7-NAPHTHYRIDINYL DERIVATIVES UCB PHARMA SA (BE) 2009-09-16 EP disclosed
US-20090221828-A1 Process for Preparing 1-Halo-2,7-Naphthyridinyl Derivatives UCB PHARMA, S.A. (BE) 2009-09-03 US disclosed
EP-1999110-A2 PROCESS FOR PREPARING l-HALO-2,7-NAPHTHYRIDINYL DERIVATIVES UCB Pharma, S.A. (BE) 2008-12-10 EP disclosed
WO-2007107345-A2 PROCESS FOR PREPARING l-HALO-2,7-NAPHTHYRIDINYL DERIVATIVES UCB PHARMA, S.A. (BE) 2007-09-27 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 (5 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-20230124468-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS NR0B1, GRK1, GRIN1 S1PR2 1879/4885TSHR 1217/4885ABL1 1127/4885
US-20240327390-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS NR0B1, GRK1, GRIN1 S1PR2 1879/4885TSHR 1217/4885ABL1 1127/4885
US-20230077268-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, GDI2 S1PR2 2752/4885TSHR 4032/4885ABL1 34/4885
US-20090221828-A1 Process for Preparing 1-Halo-2,7-Naphthyridinyl Derivatives NPM1, XPO4, BRD7 S1PR2 4518/4885TSHR 2348/4885ABL1 465/4885
US-20160090360-A1 SYNTHESIS OF BACE INHIBITORS BACE2, BACE1, APP S1PR2 3135/4885TSHR 4839/4885ABL1 939/4885

“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.