SCHEMBL14020197

SCHEMBL14020197

CCOP(=O)(CCN1CCC(N(C)S(=O)(=O)c2ccc(Nc3nccc(Nc4ccc(F)cc4)n3)cc2)CC1)OCC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 12/20 0.47
HTR1A P08908 10/20 0.47
DRD2 P14416 10/20 0.47
HTR7 P34969 10/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
HTR2C P28335 2/20 0.43
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
ACVR1 Q04771 1/20 0.41
SYK P43405 1/20 0.38
CDK2 P24941 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
SCHEMBL14020187 0.93 HTR2A (0.40) HTR2AHTR1ADRD2HTR7L3MBTL1
SCHEMBL14020208 0.91 CDK2 (0.39) HTR2AHTR1ADRD2HTR7L3MBTL1
SCHEMBL14020209 0.90 DRD2 (0.39) HTR2AHTR1ADRD2HTR7L3MBTL1
SCHEMBL14020199 0.90 DRD2 (0.40) HTR2AHTR1ADRD2HTR7L3MBTL1
SCHEMBL4885573 0.89 L3MBTL1 (0.48) HTR2AHTR1ADRD2HTR7L3MBTL1
SCHEMBL14020210 0.89 DRD2 (0.38) HTR2AHTR1ADRD2HTR7L3MBTL1
SCHEMBL4884847 0.86 HTR2A (0.49) HTR2AHTR1ADRD2HTR7L3MBTL1
SCHEMBL14020217 0.86 HTR1A (0.39) HTR2AHTR1ADRD2HTR7L3MBTL1
SCHEMBL4876790 0.84 HTR2A (0.48) HTR2AHTR1ADRD2HTR7L3MBTL1
SCHEMBL4623891 0.84 HTR2A (0.50) HTR2AHTR1ADRD2HTR7L3MBTL1

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 HTR2A 3453/4885HTR1A 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.