SCHEMBL29898567

SCHEMBL29898567

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc5ccccc5c4)cc23)c1F

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 12/20 0.79
BRAF P15056 2/20 0.79
RIPK2 O43353 1/20 0.79
ABCB11 O95342 1/20 0.79
EGFR P00533 1/20 0.79
KRAS P01116 1/20 0.79
RAF1 P04049 1/20 0.79
PGR P06401 1/20 0.79
RET P07949 1/20 0.79
CHRM2 P08172 1/20 0.79
ADORA3 P0DMS8 1/20 0.79
ARAF P10398 1/20 0.79
CHRM1 P11229 1/20 0.79
CHRM3 P20309 1/20 0.79
FECH P22830 1/20 0.79
KDR P35968 1/20 0.79
MAP2K2 P36507 1/20 0.79
TGFBR2 P37173 1/20 0.79
NEK2 P51955 1/20 0.79
MAP2K1 Q02750 1/20 0.79

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
SCHEMBL27101426 1.00 CYP2C19 (0.79) CYP2C19BRAFRIPK2ABCB11EGFR
SCHEMBL20408670 0.92 CYP2C19 (0.78) CYP2C19BRAFRIPK2ABCB11EGFR
SCHEMBL20400626 0.91 CYP2C9 (0.86) CYP2C19BRAFRIPK2ABCB11EGFR
SCHEMBL299099 0.91 BRAF (0.86) CYP2C19BRAFRIPK2ABCB11EGFR
SCHEMBL2038152 0.91 CYP2C9 (0.75) CYP2C19BRAFRIPK2ABCB11EGFR
SCHEMBL2041604 0.91 CYP2C9 (0.75) CYP2C19BRAFRIPK2ABCB11EGFR
SCHEMBL2162861 0.90 CYP2C19 (0.78) CYP2C19BRAFRIPK2ABCB11EGFR
SCHEMBL10246457 0.90 CYP2C19 (0.84) CYP2C19BRAFRIPK2ABCB11EGFR
SCHEMBL298890 0.90 CYP2C19 (0.81) CYP2C19BRAFRIPK2ABCB11EGFR
SCHEMBL29898571 0.90 CYP2C19 (0.81) CYP2C19BRAFRIPK2ABCB11EGFR

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 CYP2C19 2855/4885BRAF 65/4885RIPK2 80/4885

“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.