SCHEMBL6955822

SCHEMBL6955822

CCc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
PDE3B Q13370 3/20 0.37
PDE3A Q14432 3/20 0.37
PTAFR P25105 1/20 0.36
AGTR1 P30556 5/20 0.36
AGTR2 P50052 5/20 0.36
NOTUM Q6P988 1/20 0.36
METAP2 P50579 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
SCHEMBL6961100 0.88 NPC1 (0.39) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL1773521 0.86 FYN (0.39) AGTR1AGTR2
SCHEMBL6953051 0.85 HSD11B1 (0.47) TP53AGTR1AGTR2
SCHEMBL29366164 0.84 TRPA1 (0.35) AGTR1AGTR2
SCHEMBL1132111 0.84 TAAR1 (0.43) TP53
SCHEMBL21034528 0.84 DCUN1D1 (0.33) AGTR1AGTR2
SCHEMBL6962635 0.84 AKT1 (0.36) AGTR1AGTR2
SCHEMBL3376281 0.84 TRPA1 (0.35) AGTR1AGTR2
SCHEMBL15908141 0.84 BRS3 (0.36) AGTR1AGTR2
SCHEMBL6960829 0.84 BRD4 (0.39) PDE4APDE4BPDE4CPDE4DPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021182898-A1 COMPOSITION FOR ANTI-DIABETES AND ANTI-OBESITY COMPRISING NOVEL COMPOUND 애니젠 주식회사 2021-09-16 WO disclosed
US-10597365-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2020-03-24 US disclosed
WO-2020027304-A1 NOVEL CAROTENOID-RELATED DERIVATIVES, AND SALTS, ESTERS, OR AMIDES THEREOF アスタファーマシューティカルズ株式会社 2020-02-06 WO disclosed
US-20190077758-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2019-03-14 US disclosed
US-9828343-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2017-11-28 US disclosed
US-20170298025-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2017-10-19 US disclosed
US-9725441-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2017-08-08 US disclosed
US-20170158681-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2017-06-08 US disclosed
US-9611221-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2017-04-04 US disclosed
US-20160347714-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2016-12-01 US disclosed
EP-2116548-A1 PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES Novartis AG (CH) 2009-11-11 EP disclosed
US-20070043098-A1 Process for the preparation of tetrazole derivatives from organo boron and organo aluminium azides NOVARTIS PHARMACEUTICALS CORPORATION 2007-02-22 US disclosed
US-20070043098-A1 Process for the preparation of tetrazole derivatives from organo boron and organo aluminium azides NOVARTIS PHARMACEUTICALS CORPORATION 2007-02-22 US disclosed
WO-2005014602-A1 PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES NOVARTIS AG (CH) 2005-02-17 WO disclosed
EP-0711762-B1 PROCESS FOR PRODUCING TETRAZOLE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-08-06 EP disclosed
US-6277998-B1 REACTING 2-CYANO-4-OXO-4H-BENZOPYRAN COMPOUND WITH HYDROGEN SULFIDE AND THEN REACTING PROUDCT WITH ALKYL HALIDE; REACTING THE PRODUCT WITH HYDRAZINE OR ITS SALT AND THEN WITH NITROUS ACID COMPOUND TO OBTAIN TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-21 US disclosed
US-6191289-B1 REACTING A 4-OXO-4H-BENZOPYRAN GROUP SUBSTITUTED WITH AMIDE OR A PHENYL GROUP IN ITS 2 POSITION IS REACTED WITH ANHYDROUS HYDRAZINE OR SALT IN PRESENCE OF CATALYST FOLLOWED BY REACTING WITH NITROUS ACID OR SALT TO FORM TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-20 US disclosed
US-5874593-A SULFUR CONTAINING AMIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 EP disclosed
WO-1993013100-A1 METHOD FOR PRODUCING BIS-PYRIDINIC DERIVATIVES WITH ACETYLCHOLINESTERASE INHIBITING PROPERTIES BOEHRINGER INGELHEIM ESPAÑA S.A. (ES) 1993-07-08 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 (6 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-20070043098-A1 Process for the preparation of tetrazole derivatives from organo boron and organo aluminium azides ABL1, TBCA, TBC1D5 TP53 3193/4885PDE4A 4812/4885PDE4B 4559/4885
US-20190077758-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM5A, KDM1A TP53 365/4885PDE4A 286/4885PDE4B 346/4885
US-20160347714-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM5A, KDM1A TP53 365/4885PDE4A 286/4885PDE4B 346/4885
US-20170298025-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM5A, KDM1A TP53 365/4885PDE4A 286/4885PDE4B 346/4885
US-20170158681-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM5A, KDM1A TP53 365/4885PDE4A 286/4885PDE4B 346/4885
US-10597365-B2 Histone demethylase inhibitors KDM1B, KDM5A, KDM1A TP53 365/4885PDE4A 286/4885PDE4B 346/4885

“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.