SCHEMBL14028231

SCHEMBL14028231

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 4/20 0.46
▸ CDK4 P11802 1/20 0.38
▸ CCND3 P30281 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ CNR2 P34972 8/20 0.38
▸ TRPA1 O75762 1/20 0.37
▸ PLK1 P53350 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
▸ CNR1 P21554 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ LIPE Q05469 1/20 0.35
▸ MDM2 Q00987 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
SCHEMBL14028380 0.89 KMO (0.41) KMOCDK4CCND3GSK3BCNR2
SCHEMBL14028382 0.89 KMO (0.41) KMOCDK4CCND3GSK3BCNR2
SCHEMBL2953842 0.89 KMO (0.48) KMOCDK4CCND3GSK3BCNR2
SCHEMBL14028391 0.87 KMO (0.43) KMOCDK4CCND3GSK3BCNR2
SCHEMBL14028485 0.87 KMO (0.46) KMOCDK4CCND3GSK3BCNR2
SCHEMBL14028481 0.87 KMO (0.46) KMOCDK4CCND3GSK3BCNR2
SCHEMBL14028199 0.86 KMO (0.46) KMOCDK4CCND3GSK3BCNR2
SCHEMBL14028206 0.84 KMO (0.44) KMOCDK4CCND3GSK3BCNR2
SCHEMBL14028201 0.84 KMO (0.48) KMOCDK4CCND3GSK3BCNR2
SCHEMBL14003543 0.84 KMO (0.40) KMOCDK4CCND3GSK3BCNR2

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 716/4885CDK4 2063/4885CCND3 2814/4885

“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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