SCHEMBL29898613

SCHEMBL29898613

CCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2c[nH]c3ncc(-c4ccncc4)cc23)c1F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 10/20 0.63
BRAF P15056 3/20 0.62
CYP3A4 P08684 2/20 0.62
RIPK2 O43353 1/20 0.62
ABCB11 O95342 1/20 0.62
EGFR P00533 1/20 0.62
KRAS P01116 1/20 0.62
RAF1 P04049 1/20 0.62
PGR P06401 1/20 0.62
RET P07949 1/20 0.62
CHRM2 P08172 1/20 0.62
ADORA3 P0DMS8 1/20 0.62
ARAF P10398 1/20 0.62
CHRM1 P11229 1/20 0.62
CHRM3 P20309 1/20 0.62
FECH P22830 1/20 0.62
KDR P35968 1/20 0.62
MAP2K2 P36507 1/20 0.62
TGFBR2 P37173 1/20 0.62
NEK2 P51955 1/20 0.62

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
SCHEMBL26111154 1.00 CYP2C9 (0.63) CYP2C9BRAFCYP3A4RIPK2ABCB11
SCHEMBL26111408 0.94 CYP2C9 (0.55) CYP2C9BRAFCYP3A4RIPK2ABCB11
SCHEMBL29898620 0.92 BRAF (0.66) CYP2C9BRAFCYP3A4RIPK2ABCB11
SCHEMBL26111470 0.92 BRAF (0.66) CYP2C9BRAFCYP3A4RIPK2ABCB11
SCHEMBL29898768 0.92 CYP2C9 (0.64) CYP2C9BRAFCYP3A4RIPK2ABCB11
SCHEMBL26111541 0.92 CYP2C9 (0.64) CYP2C9BRAFCYP3A4RIPK2ABCB11
SCHEMBL27101861 0.91 BRAF (0.75) CYP2C9BRAFCYP3A4RIPK2ABCB11
SCHEMBL29898626 0.91 CYP2C9 (0.62) CYP2C9BRAFCYP3A4RIPK2ABCB11
SCHEMBL29898621 0.91 CYP2C9 (0.58) CYP2C9BRAFCYP3A4RIPK2ABCB11
SCHEMBL26110843 0.91 CYP2C9 (0.58) CYP2C9BRAFCYP3A4RIPK2ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250228834-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF COLON AND LUNG CANCER HEPAREGENIX GMBH (DE) 2025-07-17 US disclosed
EP-4504185-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF COLON AND LUNG CANCER HepaRegeniX GmbH (DE) 2025-02-12 EP disclosed
US-11912701-B2 Protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death HEPAREGENIX GMBH (DE) 2024-02-27 US disclosed
WO-2023194443-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF COLON AND LUNG CANCER HEPAREGENIX GMBH (DE) 2023-10-12 WO disclosed
US-20220281864-A1 PROTEIN KINASE INHIBITORS FOR PROMOTING LIVER REGENERATION OR REDUCING OR PREVENTING HEPATOCYTE DEATH HEPAREGENIX GMBH (DE) 2022-09-08 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 (3 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-11912701-B2 Protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death MAPK4, MAPK7, MAPK14 CYP2C9 1742/4885BRAF 64/4885CYP3A4 637/4885
US-20250228834-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF COLON AND LUNG CANCER KRAS, MAPK4, NRAS CYP2C9 3193/4885BRAF 27/4885CYP3A4 1490/4885
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.