SCHEMBL31227642

SCHEMBL31227642

O=c1c2c(Br)ccc(F)c2nnn1Cc1ccccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 2/20 0.44
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NPBWR1 P48145 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NR1H2 P55055 2/20 0.39
▸ NR1H3 Q13133 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ HSD17B13 Q7Z5P4 2/20 0.37
▸ RORC P51449 1/20 0.36
▸ CHRM5 P08912 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
SCHEMBL25431886 0.88 NPBWR1 (0.42) GRM2HPGDTSHRNPBWR1MEN1
SCHEMBL31227425 0.86 HPGD (0.43) GRM2HPGDTSHRNPBWR1MEN1
SCHEMBL31501594 0.77 HSD17B13 (0.46) HPGDTSHRNPBWR1CNR2HSD17B13
SCHEMBL30482328 0.75 RORC (0.40) GRM2HPGDTSHRNPBWR1MEN1
SCHEMBL30482284 0.74 NPBWR1 (0.42) HPGDTSHRNPBWR1MEN1KMT2A
SCHEMBL26230068 0.74 NPBWR1 (0.42) HPGDTSHRNPBWR1MEN1KMT2A
SCHEMBL31227110 0.74 HSD17B13 (0.69) HSD17B13
SCHEMBL31227482 0.72 HSD17B13 (0.74) HSD17B13
SCHEMBL31227306 0.70 ADORA2A (0.45) TDP1HSD17B13
SCHEMBL25431548 0.70 HSD17B13 (0.51) NPBWR1TDP1CNR2HSD17B13

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-20250100993-A1 2-SUBSTITUTED THIAZOLE HSD17B13 INHIBITORS AND USES THEREOF INIPHARM, INC. 2025-03-27 — — US disclosed
CN-119032090-A 2-Substituted thiazole HSD17B13 inhibitors and uses thereof 伊尼制药公司 2024-11-26 — — 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-20250100993-A1 2-SUBSTITUTED THIAZOLE HSD17B13 INHIBITORS AND USES THEREOF HSD17B1, HSD17B3, HSD17B13 GRM2 3352/4885HPGD 129/4885TSHR 2453/4885

“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.

Send feedback