SCHEMBL19783366

SCHEMBL19783366

CC(=O)OCCOc1cc(C)c2nc(N)sc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.47
CASP7 P55210 2/20 0.40
CASP6 P55212 1/20 0.40
ACACB O00763 2/20 0.36
HTT P42858 4/20 0.36
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
GLA P06280 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
CASP1 P29466 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 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
SCHEMBL19783409 0.86 IKBKB (0.43) IKBKBCASP7CASP6ACACBHTT
SCHEMBL3512062 0.77 PIK3CD (0.41) ACACBHTTHSD17B10ALDH1A1L3MBTL1
SCHEMBL30189931 0.76 IKBKB (0.42) IKBKB
SCHEMBL19782728 0.74 F2RL3 (0.47)
SCHEMBL19783030 0.73 HSD17B10 (0.46) IKBKBHTTHSD17B10KDM4EALDH1A1
SCHEMBL30189804 0.73 HSD17B10 (0.46) IKBKBHTTHSD17B10KDM4EALDH1A1
SCHEMBL13117388 0.70 HTT (0.40) IKBKBHTTKDM4EALDH1A1MAPT
SCHEMBL19783579 0.68 IKBKB (0.53) IKBKBCASP7CASP6ACACB
SCHEMBL22392567 0.68 BACE1 (0.50) HTTHSD17B10KDM4EALDH1A1MAPT
SCHEMBL30189687 0.68 IKBKB (0.53) IKBKBCASP7CASP6ACACB

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-12060347-B2 Bicyclic heteroaryl substituted compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-13 US disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
EP-3484878-B1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 EP disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 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 (3 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-12060347-B2 Bicyclic heteroaryl substituted compounds F2, F2RL3, F12 IKBKB 1709/4885CASP7 1447/4885CASP6 1573/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 IKBKB 1903/4885CASP7 1446/4885CASP6 1202/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 IKBKB 1709/4885CASP7 1447/4885CASP6 1573/4885

“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.