SCHEMBL19783634

SCHEMBL19783634

COc1cnc2c(Br)cc(C#N)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.46
HTT P42858 1/20 0.39
NQO1 P15559 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TTR P02766 1/20 0.37
ALB P02768 1/20 0.37
GRM5 P41594 1/20 0.34
KDM1A O60341 1/20 0.33
USP14 P54578 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PRNP P04156 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL19783646 0.84 ALDH1A1 (0.40) ALDH1A1PRNPMAPTNPSR1RXFP1
SCHEMBL19776271 0.78 ALDH1A1 (0.36) ALDH1A1PRNPMAPTNPSR1RXFP1
SCHEMBL19776334 0.78 MAPT (0.39) ALDH1A1PRNPMAPTNPSR1RXFP1
SCHEMBL30189677 0.77 MAOB (0.51) HTTMEN1KMT2AALDH1A1MAPT
SCHEMBL19783658 0.77 MAOB (0.51) HTTMEN1KMT2AALDH1A1MAPT
SCHEMBL19783617 0.76 TTR (0.48) HPGDSHTTMEN1KMT2ATTR
SCHEMBL19776056 0.76 ALDH1A1 (0.35) MEN1KMT2AALDH1A1PRNPMAPT
Hydrochloric Acid SCHEMBL28941147 0.75 TTR (0.47) HPGDSHTTMEN1KMT2ATTR
SCHEMBL30189807 0.74 HPGDS (0.39) HPGDSNQO1GRM5USP14
SCHEMBL19783676 0.74 HPGDS (0.39) HPGDSNQO1GRM5USP14

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 1215/4885HTT 2559/4885NQO1 645/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 HPGDS 1023/4885HTT 2480/4885NQO1 510/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 HPGDS 1215/4885HTT 2559/4885NQO1 645/4885

“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.