SCHEMBL29898529

SCHEMBL29898529

O=C(c1cccc(NS(=O)(=O)Cc2ccccc2)c1F)c1c[nH]c2ncc(-c3cnc(C4CC4)nc3)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 6/20 0.60
BRAF P15056 3/20 0.57
CYP3A4 P08684 4/20 0.49
CYP2C19 P33261 5/20 0.48
RIPK2 O43353 1/20 0.45
ABCB11 O95342 1/20 0.45
EGFR P00533 1/20 0.45
KRAS P01116 1/20 0.45
RAF1 P04049 1/20 0.45
PGR P06401 1/20 0.45
RET P07949 1/20 0.45
CHRM2 P08172 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
ARAF P10398 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
FECH P22830 1/20 0.45
KDR P35968 1/20 0.45
MAP2K2 P36507 1/20 0.45
TGFBR2 P37173 1/20 0.45

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
SCHEMBL27101487 1.00 CYP2C9 (0.60) CYP2C9BRAFCYP3A4CYP2C19RIPK2
SCHEMBL30866597 0.89 BRAF (0.73) CYP2C9BRAFCYP3A4CYP2C19RIPK2
SCHEMBL21624495 0.89 BRAF (0.73) CYP2C9BRAFCYP3A4CYP2C19RIPK2
SCHEMBL27101536 0.88 BRAF (0.57) CYP2C9BRAFCYP3A4CYP2C19RIPK2
SCHEMBL29898535 0.87 CYP2C9 (0.61) CYP2C9BRAFCYP3A4CYP2C19RIPK2
SCHEMBL21624536 0.87 CYP2C9 (0.61) CYP2C9BRAFCYP3A4CYP2C19RIPK2
SCHEMBL21624474 0.86 CYP2C9 (0.63) CYP2C9BRAFCYP3A4CYP2C19RIPK2
SCHEMBL29898573 0.86 CYP2C9 (0.63) CYP2C9BRAFCYP3A4CYP2C19RIPK2
SCHEMBL21624514 0.86 BRAF (0.61) CYP2C9BRAFCYP3A4CYP2C19RIPK2
SCHEMBL15667525 0.86 BRAF (0.69) CYP2C9BRAFCYP3A4CYP2C19

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 CYP2C9 1814/4885BRAF 65/4885CYP3A4 667/4885

“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.