SCHEMBL2145268

SCHEMBL2145268

Brc1ccc2c(c1)CN=C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.36
PNMT P11086 4/20 0.34
ASIC3 Q9UHC3 1/20 0.34
BRD4 O60885 1/20 0.33
METAP1 P53582 1/20 0.32
ADRA2A P08913 3/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
TDP2 O95551 1/20 0.32
PARP10 Q53GL7 1/20 0.32
PARP11 Q9NR21 1/20 0.32
ROCK1 Q13464 1/20 0.31
CYP19A1 P11511 2/20 0.31
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
KDM1A O60341 2/20 0.31
SRD5A1 P18405 1/20 0.31
SRD5A2 P31213 1/20 0.31
CHEK2 O96017 1/20 0.30
ROS1 P08922 1/20 0.30

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
Hydrochloric Acid SCHEMBL14921733 0.98 TRPA1 (0.35) TRPA1PNMTASIC3BRD4METAP1
SCHEMBL2965836 0.83 TRPA1 (0.47) TRPA1PNMTASIC3BRD4METAP1
SCHEMBL1962410 0.79 PNMT (0.36) TRPA1PNMTASIC3BRD4METAP1
SCHEMBL255505 0.74 HTR5A (0.37) TRPA1METAP1ADRA2APARP10PARP11
SCHEMBL16202358 0.69 NPSR1 (0.37) TRPA1
SCHEMBL16930218 0.67 PNMT (0.41) TRPA1PNMTMETAP1ADRA2AADRA2B
SCHEMBL6161601 0.67 TRPA1 (0.45) TRPA1PNMTASIC3METAP1ADRA2A
SCHEMBL1478133 0.67 PNMT (0.35) PNMTASIC3BRD4METAP1ADRA2A
SCHEMBL19374125 0.66 NPSR1 (0.36) TRPA1
SCHEMBL31289118 0.65 TRPA1 (0.30) TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067614-A1 NOVEL COMPOUNDS NRG THERAPEUTICS LTD. (GB) 2024-02-29 US disclosed
US-11839143-B2 Organometallic compound and organic light-emitting device including same SAMSUNG DISPLAY CO., LTD. (KR) 2023-12-05 US disclosed
US-11834449-B2 TYK2 inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-05 US disclosed
US-20230312466-A1 NOVEL COMPOUNDS NRG THERAPEUTICS LTD (GB) 2023-10-05 US disclosed
US-20230301990-A1 CERTAIN ARYL PLADIENOLIDE COMPOUNDS AND METHODS OF USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-09-28 US disclosed
US-11679107-B2 Certain aryl pladienolide compounds and methods of use EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-06-20 US disclosed
US-20230159538-A1 PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS GLOBAL BLOOD THERAPEUTICS, INC. 2023-05-25 US disclosed
WO-2021255212-A1 BRAF DEGRADERS F. HOFFMANN-LA ROCHE AG (CH) 2021-12-23 WO disclosed
US-9856259-B2 Heterocyclic compounds and uses thereof PLEXXIKON INC. (US) 2018-01-02 US disclosed
US-20170275291-A1 INDAZOLE COMPOUNDS AS FGFR KINASE INHIBITOR, PREPARATION AND USE THEREOF SHANGHAI HAIHE PHARMACEUTICAL CO., LTD. (CN) 2017-09-28 US disclosed
US-20170204093-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. 2017-07-20 US disclosed
US-20160280643-A1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. 2016-09-29 US disclosed
US-9440952-B2 Compounds inhibiting leucine-rich repeat kinase enzyme activity MERCK SHARP & DOHME CORP. (US) 2016-09-13 US disclosed
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2016-08-11 US disclosed
US-20160075712-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PLEXXIKON INC. 2016-03-17 US disclosed
US-20160009682-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME LLC 2016-01-14 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
EP-2344494-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2011-07-20 EP disclosed
WO-2010027500-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2010-03-11 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 (14 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-11679107-B2 Certain aryl pladienolide compounds and methods of use PLAAT5, PLAAT3, SNRPE TRPA1 4523/4885PNMT 3914/4885ASIC3 4628/4885
US-11834449-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 TRPA1 4793/4885PNMT 1477/4885ASIC3 2914/4885
US-20160009682-A1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY LRRK2, LRRC47, LIMK2 TRPA1 2121/4885PNMT 1566/4885ASIC3 1747/4885
US-20230301990-A1 CERTAIN ARYL PLADIENOLIDE COMPOUNDS AND METHODS OF USE PLAAT5, PLAAT3, PLAAT4 TRPA1 4519/4885PNMT 3871/4885ASIC3 4601/4885
US-20230312466-A1 NOVEL COMPOUNDS CYP11B1, CYP11B2, UGT1A1 TRPA1 2216/4885PNMT 3023/4885ASIC3 3090/4885
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 TRPA1 4481/4885PNMT 2496/4885ASIC3 3096/4885
US-11839143-B2 Organometallic compound and organic light-emitting device including same LEF1, OCIAD1, POU2F1 TRPA1 182/4885PNMT 829/4885ASIC3 1117/4885
US-20240067614-A1 NOVEL COMPOUNDS CYP11B1, CYP11B2, CXCR2 TRPA1 2659/4885PNMT 3183/4885ASIC3 3228/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 TRPA1 3839/4885PNMT 3372/4885ASIC3 790/4885
US-20160075712-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP11B2, CYP11B1, CYP2C19 TRPA1 1967/4885PNMT 1357/4885ASIC3 2671/4885
US-20170275291-A1 INDAZOLE COMPOUNDS AS FGFR KINASE INHIBITOR, PREPARATION AND USE THEREOF FGFR1, FGFR2, FGFR3 TRPA1 3516/4885PNMT 4227/4885ASIC3 1065/4885
US-20170204093-A1 IRAK4 INHIBITING AGENTS IRAK4, IRAK1, IRAK2 TRPA1 3689/4885PNMT 4532/4885ASIC3 2743/4885
US-20160280643-A1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, UGCG, GBA2 TRPA1 3936/4885PNMT 1293/4885ASIC3 1922/4885
US-20230159538-A1 PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS PDK1, PDK2, PKM TRPA1 2384/4885PNMT 2204/4885ASIC3 3619/4885

“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.