SCHEMBL14028388

SCHEMBL14028388

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 2/20 0.40
▸ CNR2 P34972 8/20 0.37
▸ NOD1 Q9Y239 4/20 0.37
▸ NOD2 Q9HC29 2/20 0.36
▸ BUB1 O43683 1/20 0.35
▸ TRPV4 Q9HBA0 1/20 0.35
▸ CDK4 P11802 1/20 0.34
▸ CCND3 P30281 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ BRAF P15056 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ TACR1 P25103 1/20 0.33

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
SCHEMBL14028196 0.92 KMO (0.43) KMOCNR2NOD1NOD2CDK4
SCHEMBL14541171 0.91 KMO (0.38) KMOCNR2NOD1NOD2CDK4
SCHEMBL14028207 0.87 KMO (0.42) KMOCNR2NOD1NOD2CDK4
SCHEMBL14028199 0.85 KMO (0.46) KMOCNR2CDK4CCND3GSK3B
SCHEMBL14028849 0.83 KMO (0.42) KMOCNR2CDK4CCND3GSK3B
SCHEMBL14028851 0.83 KMO (0.38) KMOCNR2CDK4CCND3GSK3B
SCHEMBL14028850 0.83 KMO (0.38) KMOCNR2CDK4CCND3GSK3B
SCHEMBL14028798 0.83 KMO (0.43) KMOCNR2CDK4CCND3GSK3B
SCHEMBL14028391 0.83 KMO (0.43) KMOCNR2CDK4CCND3GSK3B
SCHEMBL14541179 0.83 KMO (0.35) KMOCNR2NOD1NOD2CDK4

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-20080279829-A1 Phenyl-(4-Phenyl-Pyrimidin-2-Yl)-Amines For Enhancing Immunotolerance WOISETSCHLAEGER MAXIMILIAN 2008-11-13 — — US disclosed
WO-2007039216-A1 PHENYL-(4-PHENYL-PYRIMIDIN-2-YL)-AMINES FOR ENHANCING IMMUNOTOLERANCE NOVARTIS AG (CH) 2007-04-12 — — 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-20080279829-A1 Phenyl-(4-Phenyl-Pyrimidin-2-Yl)-Amines For Enhancing Immunotolerance IFNG, IL2, LY96 KMO 716/4885CNR2 462/4885NOD1 130/4885

“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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