SCHEMBL19783030

SCHEMBL19783030

COc1cc(C)c2nc(N)sc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
HTT P42858 1/20 0.42
CYP3A4 P08684 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 4/20 0.39
PIK3CD O00329 1/20 0.38
PIP5K1C O60331 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PI4KA P42356 1/20 0.38
PIK3CG P48736 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
RECQL P46063 1/20 0.37
DHFR P00374 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL30189804 1.00 HSD17B10 (0.46) HSD17B10HTTCYP3A4TDP1ALDH1A1
SCHEMBL19782397 0.82 RECQL (0.39) HSD17B10ALDH1A1POLBSMN1; SMN2TP53
SCHEMBL30189475 0.81 RECQL (0.38) ALDH1A1POLBSMN1; SMN2TSHRRECQL
SCHEMBL19783074 0.81 RECQL (0.38) ALDH1A1POLBSMN1; SMN2TSHRRECQL
SCHEMBL5309925 0.78 HSD17B10 (0.52) HSD17B10HTTCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL30189925 0.75 ALDH1A1 (0.45) HSD17B10ALDH1A1POLBSMN1; SMN2KDM4E
SCHEMBL19782957 0.75 ALDH1A1 (0.45) HSD17B10ALDH1A1POLBSMN1; SMN2KDM4E
SCHEMBL19782827 0.75 HTT (0.53) HSD17B10HTTCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL19782603 0.75 HSD17B10 (0.49) HSD17B10HTTCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL30189823 0.75 HSD17B10 (0.49) HSD17B10HTTCYP3A4ALDH1A1SMN1; 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-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 HSD17B10 2146/4885HTT 2559/4885CYP3A4 18/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 HSD17B10 2283/4885HTT 2480/4885CYP3A4 15/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 HSD17B10 2146/4885HTT 2559/4885CYP3A4 18/4885

“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.