SCHEMBL20399232

SCHEMBL20399232

CCCS(=O)(=O)Nc1ccc(C)c(C(=O)c2c[nH]c3ncc(-c4cccnc4)cc23)c1F

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 10/20 0.72
CYP3A4 P08684 2/20 0.72
CYP2C19 P33261 11/20 0.70
BRAF P15056 2/20 0.67
RIPK2 O43353 1/20 0.67
ABCB11 O95342 1/20 0.67
EGFR P00533 1/20 0.67
KRAS P01116 1/20 0.67
RAF1 P04049 1/20 0.67
PGR P06401 1/20 0.67
RET P07949 1/20 0.67
CHRM2 P08172 1/20 0.67
ADORA3 P0DMS8 1/20 0.67
ARAF P10398 1/20 0.67
CHRM1 P11229 1/20 0.67
CHRM3 P20309 1/20 0.67
FECH P22830 1/20 0.67
KDR P35968 1/20 0.67
MAP2K2 P36507 1/20 0.67
TGFBR2 P37173 1/20 0.67

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
SCHEMBL29725813 1.00 CYP2C9 (0.72) CYP2C9CYP3A4CYP2C19BRAFRIPK2
SCHEMBL294074 0.93 CYP2C9 (0.83) CYP2C9CYP3A4CYP2C19BRAFRIPK2
SCHEMBL14620945 0.92 CYP2C19 (0.75) CYP2C9CYP3A4CYP2C19BRAFRIPK2
SCHEMBL299295 0.91 CYP2C19 (0.71) CYP2C9CYP3A4CYP2C19BRAFRIPK2
Plx-4720 SCHEMBL19127698 0.88 BRAF (0.78) CYP2C9CYP3A4CYP2C19BRAFRIPK2
SCHEMBL297871 0.88 CYP2C9 (0.77) CYP2C9CYP3A4CYP2C19BRAFRIPK2
SCHEMBL18211460 0.87 BRAF (0.88) CYP2C9CYP3A4CYP2C19BRAFRIPK2
SCHEMBL855695 0.87 CYP2C9 (0.73) CYP2C9CYP3A4CYP2C19BRAFRIPK2
SCHEMBL2014840 0.86 CYP2C9 (0.75) CYP2C9CYP3A4CYP2C19BRAFRIPK2
SCHEMBL299516 0.85 CYP2C19 (0.86) CYP2C9CYP3A4CYP2C19BRAFRIPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3571200-B1 PROTEIN KINASE INHIBITORS FOR PROMOTING LIVER REGENERATION OR REDUCING OR PREVENTING HEPATOCYTE DEATH HEPAREGENIX GMBH (DE) 2022-06-22 EP claimed
US-11040027-B2 Protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death HEPAREGENIX GMBH (DE) 2021-06-22 US claimed
WO-2018134254-A1 PROTEIN KINASE INHIBITORS FOR PROMOTING LIVER REGENERATION OR REDUCING OR PREVENTING HEPATOCYTE DEATH HEPAREGENIX GMBH (DE) 2018-07-26 WO claimed
EP-3571200-B1 PROTEIN KINASE INHIBITORS FOR PROMOTING LIVER REGENERATION OR REDUCING OR PREVENTING HEPATOCYTE DEATH HEPAREGENIX GMBH (DE) 2022-06-22 EP disclosed
EP-3571200-B1 PROTEIN KINASE INHIBITORS FOR PROMOTING LIVER REGENERATION OR REDUCING OR PREVENTING HEPATOCYTE DEATH HEPAREGENIX GMBH (DE) 2022-06-22 EP disclosed
US-11040027-B2 Protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death HEPAREGENIX GMBH (DE) 2021-06-22 US disclosed
US-11040027-B2 Protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death HEPAREGENIX GMBH (DE) 2021-06-22 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-11040027-B2 Protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death MAPK4, HNF4A, HGF CYP2C9 3983/4885CYP3A4 1499/4885CYP2C19 4554/4885

“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.