SCHEMBL16508276

SCHEMBL16508276

CCc1cc(-c2ccc[nH]c2=O)c2ncc(-c3ccc(NS(C)(=O)=O)cc3Cl)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.40
NPC1 O15118 1/20 0.37
JAK2 O60674 1/20 0.37
RAB9A P51151 1/20 0.37
ALOX5AP P20292 3/20 0.36
FEN1 P39748 3/20 0.36
CYP3A4 P08684 2/20 0.36
AURKB Q96GD4 1/20 0.35
HAVCR2 Q8TDQ0 1/20 0.34
CYP17A1 P05093 2/20 0.33
GSK3B P49841 2/20 0.33
BRD4 O60885 1/20 0.33
EP300 Q09472 1/20 0.33
PDE5A O76074 1/20 0.33
CCNE2 O96020 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL16508269 0.90 ALOX5AP (0.45) NPC1JAK2RAB9AALOX5APFEN1
SCHEMBL16508267 0.88 NPC1 (0.41) NPC1JAK2RAB9AALOX5APFEN1
SCHEMBL1703319 0.86 MET (0.40) METNPC1JAK2RAB9AALOX5AP
SCHEMBL16508272 0.85 CYP17A1 (0.39) METAURKBHAVCR2CYP17A1GSK3B
SCHEMBL3765201 0.76 ALOX5AP (0.45) NPC1JAK2RAB9AALOX5APFEN1
SCHEMBL16508294 0.76 CYP3A4 (0.41) CYP3A4BRD4
SCHEMBL16508260 0.75 KIT (0.40) ALOX5APFEN1HAVCR2CYP17A1GSK3B
SCHEMBL1702697 0.74 CYP3A4 (0.38) METNPC1JAK2RAB9AALOX5AP
SCHEMBL1702674 0.74 CYP3A4 (0.45) NPC1JAK2RAB9AALOX5APFEN1
SCHEMBL1702649 0.72 MET (0.35) METNPC1JAK2RAB9ACYP3A4

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-20110300103-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS ROCHE PALO ALTO LLC (US) 2011-12-08 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 (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-20110300103-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, ZC3HAV1, IRF3 MET 3142/4885NPC1 1579/4885JAK2 276/4885

“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.