SCHEMBL19783357

SCHEMBL19783357

COc1cc(C(=O)OC(C)(C)C)c2nc(Br)sc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
NPC1 O15118 8/20 0.35
RAB9A P51151 8/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
DYRK1A Q13627 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
PPARA Q07869 1/20 0.35
KMT2A Q03164 4/20 0.35
HSD17B10 Q99714 3/20 0.35
MEN1 O00255 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 2/20 0.35
HPGD P15428 2/20 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
SCHEMBL19782745 0.86 NPC1 (0.41) CASP3SENP8SENP7SENP6NPC1
SCHEMBL21379478 0.86 CYP3A4 (0.43) NPC1RAB9ASMN1; SMN2DYRK1ACYP1A2
SCHEMBL20952340 0.82 KMT2A (0.43) CASP3SENP8SENP7SENP6NPC1
SCHEMBL21395766 0.81 NPC1 (0.38) CASP3SENP8SENP7SENP6NPC1
SCHEMBL30189684 0.73 LCK (0.52) CASP3SENP8SENP7SENP6NPC1
SCHEMBL19783378 0.73 LCK (0.52) CASP3SENP8SENP7SENP6NPC1
SCHEMBL19783563 0.73 CA1 (0.39) NPC1RAB9ASMN1; SMN2DYRK1ACYP1A2
SCHEMBL20570499 0.73 HSD17B10 (0.46) HTTHSD17B10HPGDMAPTNFKB1
SCHEMBL8781327 0.72 RAB9A (0.43) NPC1RAB9ASMN1; SMN2DYRK1ACYP1A2
SCHEMBL19782407 0.71 CYP3A4 (0.47) SMN1; SMN2CYP1A2CYP3A4CYP2C19HSD17B10

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 4 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
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 CASP3 317/4885SENP8 637/4885SENP7 1321/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 CASP3 234/4885SENP8 575/4885SENP7 1373/4885

“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.