SCHEMBL13036080

SCHEMBL13036080

CC1=NC2(CCCC2)C(=O)N1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.37
POLB P06746 2/20 0.32
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
CDK19 Q9BWU1 1/20 0.31

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
SCHEMBL18614591 0.98 IDO1 (0.36) IDO1POLBCCNCCDK8CDK19
SCHEMBL21357278 0.95 IDO1 (0.37) IDO1CCNCCDK8CDK19
SCHEMBL21357283 0.91
SCHEMBL29308387 0.81 IDO1 (0.38) IDO1
SCHEMBL18614577 0.81 IDO1 (0.38) IDO1CCNCCDK8CDK19
Hydrochloric Acid SCHEMBL21083597 0.79 IDO1 (0.37) IDO1
SCHEMBL22906068 0.78 IDO1 (0.41) IDO1CCNCCDK8CDK19
SCHEMBL29308388 0.75 IDO1 (0.34) IDO1
SCHEMBL22256979 0.75 IDO1 (0.43) IDO1CCNCCDK8CDK19
Hydrochloric Acid SCHEMBL21083896 0.74 IDO1 (0.34) IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
EP-3478672-B1 BIARYLMETHYL HETEROCYCLES UNIV MONTREAL (CA) 2024-04-10 EP disclosed
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES Université de Montréal (CA) 2023-02-09 US disclosed
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES Université de Montréal (CA) 2023-02-09 US disclosed
US-11407733-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2022-08-09 US disclosed
CN-111868060-A Dihydropyridophthalazinone derivative, preparation method and application thereof 上海艾力斯医药科技股份有限公司 2020-10-30 CN disclosed
WO-2019174607-A1 DIHYDROPYRIDOPHTHALAZINONE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海艾力斯医药科技有限公司 2019-09-19 WO disclosed
US-20190202808-A1 BIARYLMETHYL HETEROCYCLES BRISTOL-MYERS SQUIBB COMPANY 2019-07-04 US disclosed
US-20190202808-A1 BIARYLMETHYL HETEROCYCLES BRISTOL-MYERS SQUIBB COMPANY 2019-07-04 US disclosed
US-7838683-B2 Synthesis of irbesartan TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2010-11-23 US disclosed
US-20100004159-A1 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATIONS AND USES GENFIT (FR) 2010-01-07 US disclosed
US-20100004159-A1 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATIONS AND USES GENFIT (FR) 2010-01-07 US disclosed
WO-2008012470-A2 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATION AND USES GENFIT (FR) 2008-01-31 WO disclosed
US-7227026-B2 Synthesis of irbesartan TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-06-05 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 (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-11407733-B2 Biarylmethyl heterocycles ARRB1, ADRB2, ADRB1 IDO1 623/4885POLB 2720/4885CCNC 2927/4885
US-20190202808-A1 BIARYLMETHYL HETEROCYCLES ARRB1, ADRB2, ADRB1 IDO1 623/4885POLB 2720/4885CCNC 2927/4885
US-20100004159-A1 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATIONS AND USES IPO5, PPIP5K2, IPO4 IDO1 359/4885POLB 4172/4885CCNC 2405/4885
US-12037324-B2 Biarylmethyl heterocycles ARRB1, ADRB2, ADRB1 IDO1 623/4885POLB 2720/4885CCNC 2927/4885
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES ARRB1, ADRB2, ADRB1 IDO1 623/4885POLB 2720/4885CCNC 2927/4885

“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.