SCHEMBL19783056

SCHEMBL19783056

Nc1nc2cc(F)c(O)nc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
HTT P42858 2/20 0.42
AXL P30530 1/20 0.42
GFER P55789 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 5/20 0.36
CYP3A4 P08684 3/20 0.36
TP53 P04637 2/20 0.36
TSHR P16473 1/20 0.36
NSD1 Q96L73 1/20 0.36
SCN4A P35499 3/20 0.35
EPHX2 P34913 1/20 0.35
PIK3CA P42336 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
RAB9A P51151 4/20 0.34
MAPT P10636 1/20 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
Bromide SCHEMBL28941201 0.98 GAA (0.41) GAAHTTAXLGFERL3MBTL1
SCHEMBL30859016 0.79 AXL (0.41) GAAHTTAXLGFERL3MBTL1
SCHEMBL21395474 0.75 AXL (0.38) GAAHTTAXLGFERL3MBTL1
SCHEMBL19782789 0.75 CYP3A4 (0.41) GAAAXLGFERALDH1A1LMNA
SCHEMBL19783196 0.73 PIK3CA (0.42) AXLGFERALDH1A1CYP3A4TP53
SCHEMBL3104846 0.72 GAA (0.53) GAAHTTAXLGFERL3MBTL1
SCHEMBL19782762 0.71 ACACB (0.33) AXLGFERALDH1A1SMN1; SMN2CYP3A4
SCHEMBL30189518 0.71 ACACB (0.33) AXLGFERALDH1A1SMN1; SMN2CYP3A4
SCHEMBL21379555 0.70 ACACB (0.39) AXLGFERALDH1A1LMNASMN1; SMN2
SCHEMBL21379557 0.70 ACACB (0.39) AXLGFERALDH1A1LMNASMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2018013770-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 WO 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 (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 GAA 3262/4885HTT 1634/4885AXL 2422/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 GAA 3912/4885HTT 2480/4885AXL 2608/4885
US-20190300520-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS PF4, F2, F2RL3 GAA 3283/4885HTT 2097/4885AXL 1898/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 GAA 4373/4885HTT 2559/4885AXL 1994/4885

“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.