SCHEMBL19782785

SCHEMBL19782785

COC(=O)c1cnc2c(B(O)O)cc(C)cc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.36
ATM Q13315 1/20 0.36
LCK P06239 1/20 0.35
PSMD14 O00487 1/20 0.34
NQO2 P16083 4/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MRGPRX4 Q96LA9 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CSNK2A1 P68400 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL19776221 0.86 CYP1A2 (0.41) NPC1RAB9AKDM4EALDH1A1CYP1A2
SCHEMBL19782867 0.84 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2
SCHEMBL28941145 0.82 XDH (0.43) MAPK1ATMLCKPSMD14NQO2
SCHEMBL19776213 0.77 F2RL3 (0.42)
SCHEMBL19783391 0.75 UCHL1 (0.37) MAPK1ATMLCKMRGPRX4
SCHEMBL30187722 0.74 MAPT (0.43) MAPK1ATMLCKNQO2NPC1
SCHEMBL19782609 0.71 F2RL3 (0.32)
SCHEMBL19782484 0.71 NOS3 (0.35)
SCHEMBL19783220 0.70 F2RL3 (0.60) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL19783226 0.70 F2RL3 (0.38) KDM4EALDH1A1SMN1; SMN2

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 MAPK1 3368/4885ATM 3354/4885LCK 3039/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 MAPK1 2622/4885ATM 2698/4885LCK 2435/4885

“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.