SCHEMBL22972248

SCHEMBL22972248

O=C(NCc1ccncc1)c1ccc(F)c(O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.58
CYP3A4 P08684 4/20 0.58
MAPK14 Q16539 4/20 0.58
GAA P10253 1/20 0.57
CA2 P00918 1/20 0.57
MMP13 P45452 4/20 0.56
ROCK2 O75116 2/20 0.52
ROCK1 Q13464 2/20 0.52
RPS6KA5 O75582 1/20 0.52
MAP4K4 O95819 1/20 0.52
PRKCG P05129 1/20 0.52
PRKACA P17612 1/20 0.52
RPS6KB1 P23443 1/20 0.52
MAPK1 P28482 1/20 0.52
AKT1 P31749 1/20 0.52
GSK3A P49840 1/20 0.52
GSK3B P49841 1/20 0.52
PRKX P51817 1/20 0.52
PRKCD Q05655 1/20 0.52

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
SCHEMBL29622924 1.00 HSD17B10 (0.60) HSD17B10L3MBTL1CYP3A4MAPK14GAA
SCHEMBL22972394 0.84 NPSR1 (0.64) L3MBTL1CYP3A4GAACA2MMP13
SCHEMBL13947151 0.83 GAA (0.65) HSD17B10CYP3A4MAPK14GAACA2
SCHEMBL13503814 0.80 HSD17B10 (0.56) HSD17B10L3MBTL1CYP3A4MAPK14GAA
SCHEMBL22972395 0.79 NAMPT (0.55) GAAROCK2ROCK1SMN1; SMN2NAMPT
SCHEMBL3593259 0.79 ALDH1A1 (0.64) HSD17B10L3MBTL1CYP3A4MAPK14GAA
SCHEMBL4503327 0.79 MMP13 (0.69) L3MBTL1CYP3A4MAPK14GAACA2
SCHEMBL27781473 0.78 AURKA (0.66) HSD17B10L3MBTL1CYP3A4MAPK14GAA
SCHEMBL1569157 0.78 L3MBTL1 (0.77) HSD17B10L3MBTL1CYP3A4MAPK14GAA
SCHEMBL30828595 0.77 MMP13 (0.88) L3MBTL1CYP3A4MAPK14GAACA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220388979-A1 QUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B.C.I. PHARMA (BE) 2022-12-08 US disclosed
CN-114391009-A Quinoline derivatives as protein kinase inhibitors BCI制药公司 2022-04-22 CN disclosed
WO-2021023888-A1 ISOQUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B.C.I. PHARMA (BE) 2021-02-11 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 (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-20220388979-A1 QUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ABL1, PHKB, EEF2K HSD17B10 3980/4885L3MBTL1 2103/4885CYP3A4 4406/4885

“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.