SCHEMBL14028391

SCHEMBL14028391

CC(C)CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nccc(-c2cccc(Cl)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 2/20 0.43
▸ CNR2 P34972 8/20 0.38
▸ CDK4 P11802 1/20 0.37
▸ CCND3 P30281 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ FFAR2 O15552 1/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ PLK1 P53350 1/20 0.35
▸ TRPV3 Q8NET8 2/20 0.35
▸ MDM2 Q00987 1/20 0.35
▸ MAPK1 P28482 1/20 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
SCHEMBL14028199 0.89 KMO (0.46) KMOCNR2CDK4CCND3GSK3B
SCHEMBL14028231 0.87 KMO (0.46) KMOCNR2CDK4CCND3GSK3B
SCHEMBL14028196 0.87 KMO (0.43) KMOCNR2CDK4CCND3GSK3B
SCHEMBL2953842 0.86 KMO (0.48) KMOCNR2CDK4CCND3GSK3B
SCHEMBL14028849 0.85 KMO (0.42) KMOCNR2CDK4CCND3GSK3B
SCHEMBL14028207 0.85 KMO (0.42) KMOCNR2CDK4CCND3GSK3B
SCHEMBL14028798 0.85 KMO (0.43) KMOCNR2CDK4CCND3GSK3B
SCHEMBL14541180 0.85 KMO (0.43) KMOCNR2CDK4CCND3GSK3B
SCHEMBL14541381 0.84 KMO (0.41) KMOCNR2CDK4CCND3GSK3B
SCHEMBL14028485 0.84 KMO (0.46) KMOCNR2CDK4CCND3GSK3B

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-20080279829-A1 Phenyl-(4-Phenyl-Pyrimidin-2-Yl)-Amines For Enhancing Immunotolerance WOISETSCHLAEGER MAXIMILIAN 2008-11-13 — — 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-20080279829-A1 Phenyl-(4-Phenyl-Pyrimidin-2-Yl)-Amines For Enhancing Immunotolerance IFNG, IL2, LY96 KMO 716/4885CNR2 462/4885CDK4 2063/4885

“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.

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