SCHEMBL21395529

SCHEMBL21395529

COc1cc(C=O)c2nc(Br)sc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.39
PRKDC P78527 1/20 0.38
RAB9A P51151 7/20 0.37
NPC1 O15118 6/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2C19 P33261 3/20 0.37
CYP3A4 P08684 2/20 0.37
DYRK1A Q13627 2/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL21379622 0.88 APP (0.37) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL21379479 0.83 ALDH1A1 (0.42) ERN1RAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL19782939 0.77 F2RL3 (0.43) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL19782620 0.77 F2RL3 (0.45) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL30189743 0.76 F2RL3 (0.44) CYP1A2CYP2C19CYP3A4ALDH1A1PDK1
SCHEMBL19782949 0.76 ERN1 (0.34) ERN1DYRK1AHTT
SCHEMBL19783358 0.76 F2RL3 (0.44) CYP1A2CYP2C19CYP3A4ALDH1A1PDK1
SCHEMBL19782618 0.76 F2RL3 (0.44) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL6828189 0.75 ERN1 (0.52) ERN1PRKDCCYP1A2CYP2C19ALDH1A1
SCHEMBL20952340 0.74 KMT2A (0.43) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19

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
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

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 ERN1 4029/4885PRKDC 3204/4885RAB9A 667/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 ERN1 4020/4885PRKDC 2594/4885RAB9A 748/4885

“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.