SCHEMBL30851292

SCHEMBL30851292

COc1ncc(-c2cccc(O)c2)cc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 5/20 0.52
HSD17B2 P37059 5/20 0.52
AR P10275 1/20 0.48
FYN P06241 3/20 0.46
BMPR1A P36894 1/20 0.46
TGFBR1 P36897 1/20 0.46
ACVRL1 P37023 1/20 0.46
ACVR1 Q04771 1/20 0.46
PIK3CD O00329 2/20 0.46
PIK3CA P42336 2/20 0.46
PIK3CB P42338 2/20 0.46
PIK3CG P48736 2/20 0.46
KCNH2 Q12809 1/20 0.46
ABL1 P00519 1/20 0.45
FLT3 P36888 1/20 0.45
RAB9A P51151 1/20 0.43
MAPT P10636 1/20 0.42
CASP1 P29466 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL24967940 1.00 HSD17B1 (0.52) HSD17B1HSD17B2ARFYNBMPR1A
SCHEMBL29461710 0.81 HSD17B1 (0.56) HSD17B1HSD17B2FYNBMPR1ATGFBR1
SCHEMBL30129857 0.80 FYN (0.60) HSD17B1HSD17B2FYNBMPR1ATGFBR1
SCHEMBL30851237 0.79 NR1H2 (0.48) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL24967930 0.79 NR1H2 (0.48) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL24967931 0.78 SYK (0.55) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL29461830 0.78 FYN (0.55) HSD17B1HSD17B2FYNBMPR1ATGFBR1
SCHEMBL24968411 0.77 AURKA (0.41) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL30851250 0.77 AURKA (0.41) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL27233781 0.77 MAPT (0.41) ARPIK3CDPIK3CAPIK3CBPIK3CG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240351997-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF SHANGHAI QILU PHARMACEUTICAL RESEARCH AND DEVELOPMENT CENTRE LTD. (CN) 2024-10-24 US disclosed
CN-117642393-A Novel PARP7 inhibitor and application thereof 上海齐鲁制药研究中心有限公司 2024-03-01 CN 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 (1 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-20240351997-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF PARP6, PARP4, PARP3 HSD17B1 1939/4885HSD17B2 2211/4885AR 1053/4885

“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.