SCHEMBL19783403

SCHEMBL19783403

COc1cc(C#N)c2nc(Br)sc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.38
RXFP1 Q9HBX9 2/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
KDM4E B2RXH2 8/20 0.35
MAPT P10636 6/20 0.35
ALDH1A1 P00352 5/20 0.35
CLK1 P49759 4/20 0.35
HSD17B10 Q99714 4/20 0.35
CASP1 P29466 3/20 0.35
GAA P10253 2/20 0.35
GLA P06280 2/20 0.35
MAPK1 P28482 1/20 0.35
CASP7 P55210 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35

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
SCHEMBL30189811 1.00 L3MBTL1 (0.38) L3MBTL1RXFP1PPARGNCOA2NCOA1
SCHEMBL19782855 0.83 CYP3A4 (0.49) L3MBTL1RXFP1PPARGNCOA2NCOA1
SCHEMBL30189519 0.83 CYP3A4 (0.49) L3MBTL1RXFP1PPARGNCOA2NCOA1
SCHEMBL5423278 0.79 KDM4E (0.49) L3MBTL1KDM4EMAPTALDH1A1HSD17B10
SCHEMBL19782620 0.77 F2RL3 (0.45) KDM4EMAPTALDH1A1GAATDP1
SCHEMBL19782939 0.77 F2RL3 (0.43) L3MBTL1KDM4EMAPTALDH1A1HSD17B10
SCHEMBL29644664 0.76 SMN1; SMN2 (0.41) RXFP1KDM4EMAPTALDH1A1GAA
SCHEMBL19783358 0.76 F2RL3 (0.44) ALDH1A1CYP1A2CYP3A4CYP2C19PDK1
SCHEMBL30189743 0.76 F2RL3 (0.44) ALDH1A1CYP1A2CYP3A4CYP2C19PDK1
SCHEMBL19782618 0.76 F2RL3 (0.44) KDM4EMAPTALDH1A1HSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 L3MBTL1 1728/4885RXFP1 2047/4885PPARG 2807/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 L3MBTL1 1998/4885RXFP1 1472/4885PPARG 2612/4885

“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.