SCHEMBL19783191

SCHEMBL19783191

O=C(Nc1ccc(F)nc1)OCCOc1cc2sc(Br)nc2c(Cl)c1F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.34
CYP3A4 P08684 1/20 0.34
F2RL3 Q96RI0 1/20 0.34
KCNQ3 O43525 3/20 0.34
KCNQ2 O43526 3/20 0.34
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
CHRNA7 P36544 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
SCHEMBL19782978 0.89 MEN1 (0.41) MEN1KMT2ANPC1RAB9ANPSR1
SCHEMBL21395473 0.79 F2RL3 (0.48) CYP3A4F2RL3
SCHEMBL21395524 0.79 F2RL3 (0.57) CYP3A4F2RL3
SCHEMBL31113583 0.79 F2RL3 (0.57) CYP3A4F2RL3
SCHEMBL31113960 0.79 F2RL3 (0.48) CYP3A4F2RL3
SCHEMBL31114003 0.78 MEN1 (0.40) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL21395995 0.78 MEN1 (0.40) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL23462855 0.77 F2RL3 (0.54) CYP3A4F2RL3
SCHEMBL21395526 0.75 F2RL3 (0.60) CYP3A4F2RL3
SCHEMBL31113752 0.75 F2RL3 (0.60) CYP3A4F2RL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (2 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-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 MEN1 1767/4885KMT2A 2420/4885NPC1 2639/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 MEN1 1492/4885KMT2A 2390/4885NPC1 2194/4885

“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.