SCHEMBL14020199

SCHEMBL14020199

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.40
HTR2A P28223 7/20 0.40
HTR1A P08908 6/20 0.40
HTR7 P34969 6/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
CDK2 P24941 5/20 0.36
CDK4 P11802 1/20 0.36
CCNE1 P24864 1/20 0.36
SYK P43405 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA1 P00915 4/20 0.35

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
SCHEMBL14020210 0.96 DRD2 (0.38) DRD2HTR2AHTR1AHTR7MEN1
SCHEMBL14020190 0.94 CDK2 (0.38) DRD2HTR2AHTR1AHTR7CDK2
SCHEMBL14020209 0.93 DRD2 (0.39) DRD2HTR2AHTR1AHTR7MEN1
SCHEMBL14020197 0.90 HTR2A (0.47) DRD2HTR2AHTR1AHTR7MEN1
SCHEMBL14020201 0.90 CDK2 (0.38) DRD2HTR2AHTR1AHTR7CDK2
SCHEMBL4887001 0.89 MEN1 (0.41) DRD2HTR2AHTR1AHTR7MEN1
SCHEMBL14020217 0.86 HTR1A (0.39) DRD2HTR2AHTR1AHTR7MEN1
SCHEMBL4621951 0.85 MEN1 (0.47) HTR2AMEN1NPC1LMNAMAPT
Hydrochloric Acid SCHEMBL4886318 0.85 MEN1 (0.47) HTR2AMEN1NPC1LMNAMAPT
SCHEMBL4883806 0.85 MEN1 (0.40) DRD2HTR2AHTR1AHTR7MEN1

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-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

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 DRD2 2869/4885HTR2A 3453/4885HTR1A 3698/4885

“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.