SCHEMBL10035696

SCHEMBL10035696

Cc1cccc(COC(C)(C)C)c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.60
▸ MAOB P27338 7/20 0.50
▸ TAAR1 Q96RJ0 2/20 0.47
▸ MAOA P21397 2/20 0.45
▸ ACHE P22303 3/20 0.42
▸ MMP2 P08253 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP12 P39900 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL646850 0.87 IDO1 (0.42) IDO1ACHE
SCHEMBL23977863 0.82 IDO1 (0.58) IDO1MAOBTAAR1MAOAACHE
SCHEMBL19240343 0.80 ENPP2 (0.50) TAAR1LMNA
SCHEMBL6667381 0.79 IDO1 (0.69) IDO1MAOBTAAR1MAOAACHE
SCHEMBL22021921 0.79 TACR1 (0.38) IDO1
SCHEMBL14115730 0.78 MRGPRX4 (0.49) IDO1MAOB
SCHEMBL22173456 0.78 IDO1 (0.36) IDO1ACHE
SCHEMBL13597426 0.78 IDO1 (0.58) IDO1MAOBTAAR1MAOA
SCHEMBL19889112 0.78 TRPA1 (0.38) IDO1MAOBACHE
SCHEMBL19354065 0.78 IDO1 (0.36) IDO1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021155264-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2021-08-05 — — WO disclosed
US-10793514-B2 Glutamine transport inhibitors and methods for treating cancer VANDERBILT UNIVERSITY (US) 2020-10-06 — — US disclosed
US-10647683-B2 Hsp70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2020-05-12 — — US disclosed
US-20200095190-A1 Glutamine Transport Inhibitors and Methods for Treating Cancer VANDERBILT UNIVERSITY 2020-03-26 — — US disclosed
CN-110183352-A β-carbonyl-(alpha-cyano imines) class compound and its synthetic method 上海大学 2019-08-30 — — CN disclosed
US-20190241526-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2019-08-08 — — US disclosed
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2018-06-21 — — US disclosed
US-9878987-B2 HSP70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2018-01-30 — — US disclosed
US-9878987-B2 HSP70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2018-01-30 — — US disclosed
US-20170247339-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF ARROMAX PHARMATECH CO., LTD. (CN) 2017-08-31 — — US disclosed
US-20140343054-A1 Therapeutic Use of Imidazopyridine Derivatives SANOFI (FR) 2014-11-20 — — US disclosed
US-20140243328-A1 IMIDAZOPYRIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2014-08-28 — — US disclosed
US-8759344-B2 Imidazopyridine derivatives, process for preparation thereof and therapeutic use thereof SANOFI (FR) 2014-06-24 — — US disclosed
US-20130116250-A1 IMIDAZOPYRIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-05-09 — — US disclosed
US-8119653-B2 Belactosin derivatives as therapeutic agents/biological probes and their synthesis THE TEXAS A&M UNIVERSITY SYSTEM (US) 2012-02-21 — — US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 — — US disclosed
US-20100190782-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-07-29 — — US disclosed
US-20100179190-A1 BICYCLIC PYRAZOLO PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2010-07-15 — — US disclosed
US-20090042922-A1 NOVEL BELACTOSIN DERIVATIVES AS THERAPEUTIC AGENTS/BIOLOGICAL PROBES AND THEIR SYNTHESIS NATIONAL SCIENCE FOUNDATION 2009-02-12 — — US disclosed
US-7473783-B2 Bicyclic pyrazolo protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-01-06 — — 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 (12 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-20100179190-A1 BICYCLIC PYRAZOLO PROTEIN KINASE MODULATORS MAP3K20, MAP4K2, MAP4K3 IDO1 3282/4885MAOB 3489/4885TAAR1 3313/4885
US-20190241526-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 IDO1 1909/4885MAOB 2862/4885TAAR1 4067/4885
US-20140243328-A1 IMIDAZOPYRIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CCNY, ENY2, PAH IDO1 812/4885MAOB 178/4885TAAR1 3200/4885
US-20200095190-A1 Glutamine Transport Inhibitors and Methods for Treating Cancer SLC1A5, SLC7A11, SLC3A2 IDO1 2036/4885MAOB 2702/4885TAAR1 3015/4885
US-20140343054-A1 Therapeutic Use of Imidazopyridine Derivatives CCNY, UTS2R, WNK2 IDO1 1048/4885MAOB 1788/4885TAAR1 2409/4885
US-20130116250-A1 IMIDAZOPYRIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CCNY, ENY2, PAH IDO1 812/4885MAOB 178/4885TAAR1 3200/4885
US-20170247339-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF WEE1, WEE2, EGFR IDO1 751/4885MAOB 3811/4885TAAR1 4530/4885
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 IDO1 1909/4885MAOB 2862/4885TAAR1 4067/4885
US-20090042922-A1 NOVEL BELACTOSIN DERIVATIVES AS THERAPEUTIC AGENTS/BIOLOGICAL PROBES AND THEIR SYNTHESIS PSMB1, PSMB10, PBK IDO1 772/4885MAOB 1853/4885TAAR1 4060/4885
US-10793514-B2 Glutamine transport inhibitors and methods for treating cancer SLC1A5, SLC7A11, SLC3A2 IDO1 2036/4885MAOB 2702/4885TAAR1 3015/4885
US-10647683-B2 Hsp70 modulators and methods for making and using the same HSPA2, HSP90AA1, HSP90AB1 IDO1 1909/4885MAOB 2862/4885TAAR1 4067/4885
US-20100190782-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX IDO1 4177/4885MAOB 415/4885TAAR1 3357/4885

“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.

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