SCHEMBL19782789

SCHEMBL19782789

COc1nc2sc(N)nc2cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 1/20 0.41
AXL P30530 1/20 0.38
GFER P55789 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.36
ALDH1A1 P00352 4/20 0.36
TP53 P04637 3/20 0.36
TSHR P16473 2/20 0.36
FTO Q9C0B1 2/20 0.35
ALKBH5 Q6P6C2 1/20 0.35
PIK3CA P42336 3/20 0.35
PIK3CD O00329 2/20 0.35
PIK3CB P42338 2/20 0.35
PI4KA P42356 2/20 0.35
PI4KB Q9UBF8 2/20 0.35
PIP5K1C O60331 1/20 0.35
PIK3CG P48736 1/20 0.35
RAB9A P51151 5/20 0.34
LMNA P02545 2/20 0.34

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
SCHEMBL29783705 0.83 STING1 (0.32)
SCHEMBL19783080 0.83 STING1 (0.32)
SCHEMBL1559583 0.80 CYP3A4 (0.41) CYP3A4CYP1A2CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL30189518 0.78 ACACB (0.33) CYP3A4CYP1A2CYP2C19AXLGFER
SCHEMBL19782762 0.78 ACACB (0.33) CYP3A4CYP1A2CYP2C19AXLGFER
SCHEMBL31330048 0.78 SMN1; SMN2 (0.40) CYP3A4CYP1A2CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL19783196 0.77 PIK3CA (0.42) CYP3A4AXLGFERALDH1A1TP53
SCHEMBL21379555 0.77 ACACB (0.39) CYP3A4CYP2C19AXLGFERSMN1; SMN2
SCHEMBL21379557 0.77 ACACB (0.39) CYP3A4CYP2C19AXLGFERSMN1; SMN2
SCHEMBL19782765 0.77 ALOX5AP (0.37) CYP3A4AXLGFERSMN1; SMN2ALDH1A1

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 9 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
CN-109689649-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2022-07-19 CN disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-10730868-B2 Bicyclic heteroaryl substituted compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-04 US disclosed
EP-3484881-B1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-04-29 EP disclosed
US-20190300520-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2019-10-03 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
WO-2018013770-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 (4 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-10730868-B2 Bicyclic heteroaryl substituted compounds F2, PF4, F2RL3 CYP3A4 14/4885CYP1A2 218/4885CYP2C19 46/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 CYP3A4 15/4885CYP1A2 200/4885CYP2C19 64/4885
US-20190300520-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS PF4, F2, F2RL3 CYP3A4 11/4885CYP1A2 152/4885CYP2C19 23/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 CYP3A4 18/4885CYP1A2 176/4885CYP2C19 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.