SCHEMBL19783676

SCHEMBL19783676

COc1cnc2c(B3OC(C)(C)C(C)(C)O3)cc(C#N)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.39
NQO1 P15559 1/20 0.33
SNCA P37840 1/20 0.32
UCHL1 P09936 1/20 0.32
USP14 P54578 2/20 0.32
IDH1 O75874 1/20 0.30
GRM5 P41594 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
SCHEMBL30189807 1.00 HPGDS (0.39) HPGDSNQO1SNCAUCHL1USP14
SCHEMBL30189815 0.85 SNCA (0.36) SNCAUCHL1
SCHEMBL19782697 0.85 SNCA (0.36) SNCAUCHL1
SCHEMBL29481805 0.84 SNCA (0.34) SNCAUCHL1
SCHEMBL19776061 0.84 SNCA (0.34) SNCAUCHL1
SCHEMBL19776260 0.82 UCHL1 (0.36) SNCAUCHL1
SCHEMBL29481764 0.82 UCHL1 (0.36) SNCAUCHL1
SCHEMBL19776055 0.81 UCHL1 (0.35) SNCAUCHL1
SCHEMBL29481822 0.81 UCHL1 (0.35) SNCAUCHL1
SCHEMBL19776239 0.81 HPGDS (0.35) HPGDSSNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12060347-B2 Bicyclic heteroaryl substituted compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-13 US disclosed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
EP-3484878-B1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 EP disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US disclosed
WO-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 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 (3 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-12060347-B2 Bicyclic heteroaryl substituted compounds F2, F2RL3, F12 HPGDS 1215/4885NQO1 645/4885SNCA 1764/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 HPGDS 1023/4885NQO1 510/4885SNCA 2066/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 HPGDS 1215/4885NQO1 645/4885SNCA 1764/4885

“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.