SCHEMBL29898532

SCHEMBL29898532

COc1ccc(-c2cnc3[nH]cc(C(=O)c4cccc(NS(=O)(=O)Cc5ccccc5)c4F)c3c2)c(Cl)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K4 P45985 3/20 0.59
▸ CYP2C9 P11712 6/20 0.54
▸ PAK1 Q13153 2/20 0.48
▸ CYP2C19 P33261 3/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ RIPK2 O43353 1/20 0.46
▸ ABCB11 O95342 1/20 0.46
▸ EGFR P00533 1/20 0.46
▸ KRAS P01116 1/20 0.46
▸ RAF1 P04049 1/20 0.46
▸ PGR P06401 1/20 0.46
▸ RET P07949 1/20 0.46
▸ CHRM2 P08172 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ ARAF P10398 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ BRAF P15056 1/20 0.46
▸ CHRM3 P20309 1/20 0.46
▸ FECH P22830 1/20 0.46
▸ KDR P35968 1/20 0.46

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
SCHEMBL27101478 1.00 MAP2K4 (0.59) MAP2K4CYP2C9PAK1CYP2C19CYP3A4
SCHEMBL20408810 0.89 MAP2K4 (0.73) MAP2K4CYP2C9PAK1CYP2C19CYP3A4
SCHEMBL29725808 0.88 MAP2K4 (0.75) MAP2K4CYP2C9PAK1CYP2C19CYP3A4
SCHEMBL20408845 0.88 MAP2K4 (0.75) MAP2K4CYP2C9PAK1CYP2C19CYP3A4
SCHEMBL29898573 0.86 CYP2C9 (0.63) CYP2C9CYP2C19CYP3A4RIPK2ABCB11
SCHEMBL21624474 0.86 CYP2C9 (0.63) CYP2C9CYP2C19CYP3A4RIPK2ABCB11
SCHEMBL21624564 0.85 CYP2C9 (0.58) MAP2K4CYP2C9CYP2C19CYP3A4RIPK2
SCHEMBL29898540 0.85 CYP2C9 (0.58) MAP2K4CYP2C9CYP2C19CYP3A4RIPK2
SCHEMBL21624547 0.84 CYP2C9 (0.52) MAP2K4CYP2C9PAK1CYP2C19CYP3A4
SCHEMBL21624479 0.84 CYP2C9 (0.52) MAP2K4CYP2C9PAK1CYP2C19CYP3A4

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-20220281864-A1 PROTEIN KINASE INHIBITORS FOR PROMOTING LIVER REGENERATION OR REDUCING OR PREVENTING HEPATOCYTE DEATH HEPAREGENIX GMBH (DE) 2022-09-08 — — US claimed

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-20220281864-A1 PROTEIN KINASE INHIBITORS FOR PROMOTING LIVER REGENERATION OR REDUCING OR PREVENTING HEPATOCYTE DEATH MAPK4, MAPK7, MAPK14 MAP2K4 22/4885CYP2C9 1814/4885PAK1 289/4885

“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.

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