SCHEMBL14020183

SCHEMBL14020183

CCOP(=O)(CCN1CCC(NS(=O)(=O)c2ccc(Nc3nccc(Nc4ccc(F)c(F)c4)n3)cc2)CC1)OCC

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 16/20 0.43
HTR1A P08908 14/20 0.43
DRD2 P14416 5/20 0.43
HTR6 P50406 5/20 0.43
CDK4 P11802 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
HTR2A P28223 1/20 0.38
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
FAM20C Q8IXL6 1/20 0.37

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
SCHEMBL14020191 0.93 CDK4 (0.40) HTR7HTR1ADRD2HTR6CDK4
SCHEMBL14020216 0.88 HTR1A (0.46) HTR7HTR1ADRD2HTR6CDK2
SCHEMBL14020187 0.87 HTR2A (0.40) HTR7HTR1ADRD2CDK4CCNE1
SCHEMBL14020190 0.85 CDK2 (0.38) HTR7HTR1ADRD2CDK4CCNE1
SCHEMBL14020201 0.84 CDK2 (0.38) HTR7HTR1ADRD2CDK4CCNE1
SCHEMBL3302160 0.82 IKBKB (0.47) CDK4CCNE1CDK2IKBKBCHUK
SCHEMBL14020208 0.81 CDK2 (0.39) HTR7HTR1ADRD2CDK4CCNE1
SCHEMBL14020197 0.79 HTR2A (0.47) HTR7HTR1ADRD2CDK2HTR2A
SCHEMBL13392087 0.78 IKBKB (0.46) CDK4CCNE1CDK2IKBKBCHUK
SCHEMBL14020199 0.78 DRD2 (0.40) HTR7HTR1ADRD2CDK4CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269170-A1 Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors SANOFI-AVENTIS (FR) 2008-10-30 US disclosed
WO-2007006926-A2 NOVEL 2,4-DIANILINOPYRIMIDINE DERIVATIVES, THE PREPARATION THEREOF, THEIR USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2007-01-18 WO 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-20080269170-A1 Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors NFKBIA, IKBKB, IKBKE HTR7 3944/4885HTR1A 3698/4885DRD2 2869/4885

“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.