SCHEMBL22473944

SCHEMBL22473944

CCOC(=O)c1cc(-n2cc(C3CC3)nc2S)c(Cl)cc1F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GABRA2 P47869 7/20 0.37
GABRB2 P47870 7/20 0.37
BAZ2B Q9UIF8 1/20 0.37
BAZ2A Q9UIF9 1/20 0.37
JMJD6 Q6NYC1 1/20 0.36
GAA P10253 1/20 0.36
DHODH Q02127 2/20 0.36
MAP3K5 Q99683 3/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL21649342 0.89 TP53 (0.38) KDM4EHSD17B10GAAMAP3K5
SCHEMBL21649344 0.82 MAP3K5 (0.49) MAP3K5
SCHEMBL28368603 0.70 RAB9A (0.40) KDM4EGABRA2GABRB2GABRG2GABRB3
SCHEMBL28657005 0.70 ALDH1A1 (0.41) KDM4EHSD17B10GAAMAP3K5
SCHEMBL30998146 0.69 CYP4F2 (0.50) BAZ2BBAZ2AJMJD6CA12CA1
SCHEMBL5280799 0.68 CYP4F2 (0.49) BAZ2BBAZ2AJMJD6GAACA12
SCHEMBL17880577 0.67 MAP3K5 (0.55) MAP3K5
SCHEMBL28643394 0.66 ALDH1A1 (0.41) KDM4EHSD17B10MAP3K5
SCHEMBL365356 0.66 CYP4F2 (0.49) BAZ2BBAZ2AJMJD6CA12CA1
SCHEMBL28614404 0.66 PDE4D (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787435-B2 ASK1 inhibitor and preparation method and use thereof Fuijan Cosunter Pharmaceutical Co. Ltd. (CN) 2020-09-29 US 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-10787435-B2 ASK1 inhibitor and preparation method and use thereof MARK1, MAP3K1, MAP3K20 KDM4E 2985/4885HSD17B10 1964/4885GABRA2 4801/4885

“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.