SCHEMBL19783817

SCHEMBL19783817

COCc1cc(OC)cc2sc(Br)nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
NPC1 O15118 7/20 0.33
RAB9A P51151 7/20 0.33
SMN1; SMN2 Q16637 6/20 0.33
MEN1 O00255 3/20 0.33
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
PDK1 Q15118 1/20 0.33
ATAD2 Q6PL18 1/20 0.32
BACE1 P56817 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 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
SCHEMBL19783032 0.84 ALDH1A1 (0.39) CYP1A2CYP3A4CYP2C19CYP11B1CYP11B2
SCHEMBL21379631 0.82 NPC1 (0.33) CYP1A2CYP3A4CYP2C19NPC1RAB9A
SCHEMBL19782561 0.82 SLC6A4 (0.36) CYP1A2CYP3A4CYP2C19NPC1RAB9A
SCHEMBL19782620 0.77 F2RL3 (0.45) CYP1A2CYP3A4CYP2C19NPC1RAB9A
SCHEMBL19782939 0.77 F2RL3 (0.43) CYP1A2CYP3A4CYP2C19NPC1RAB9A
SCHEMBL30189743 0.76 F2RL3 (0.44) CYP1A2CYP3A4CYP2C19PDK1ALDH1A1
SCHEMBL19783358 0.76 F2RL3 (0.44) CYP1A2CYP3A4CYP2C19PDK1ALDH1A1
SCHEMBL19782618 0.76 F2RL3 (0.44) CYP1A2CYP3A4CYP2C19NPC1RAB9A
SCHEMBL21395529 0.72 ERN1 (0.39) CYP1A2CYP3A4CYP2C19NPC1RAB9A
SCHEMBL19783403 0.72 L3MBTL1 (0.38) CYP1A2CYP3A4CYP2C19NPC1RAB9A

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 CYP1A2 200/4885CYP3A4 15/4885CYP2C19 64/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 CYP1A2 176/4885CYP3A4 18/4885CYP2C19 61/4885

“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.