SCHEMBL14028390

SCHEMBL14028390

O=C(C1CCCCC1)N(c1ccc(C(F)(F)F)cc1)c1nccc(-c2cccc(Cl)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 2/20 0.43
▸ CNR2 P34972 4/20 0.42
▸ CDK4 P11802 1/20 0.38
▸ CCND3 P30281 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ ABL1 P00519 1/20 0.37
▸ PDGFRB P09619 1/20 0.37
▸ BCR P11274 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ PLK1 P53350 1/20 0.37
▸ GRM5 P41594 5/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ CAMK2D Q13557 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.35
▸ PDE4D Q08499 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
SCHEMBL14028210 0.95 KMO (0.45) KMOCNR2CDK4CCND3GSK3B
SCHEMBL14028486 0.91 CNR2 (0.43) KMOCNR2CDK4CCND3GSK3B
SCHEMBL2953842 0.83 KMO (0.48) KMOCNR2CDK4CCND3GSK3B
SCHEMBL14028485 0.82 KMO (0.46) KMOCNR2CDK4CCND3GSK3B
SCHEMBL14028481 0.82 KMO (0.46) KMOCNR2CDK4CCND3GSK3B
SCHEMBL14028199 0.81 KMO (0.46) KMOCNR2CDK4CCND3GSK3B
SCHEMBL14028231 0.81 KMO (0.46) KMOCNR2CDK4CCND3GSK3B
SCHEMBL14028201 0.81 KMO (0.48) KMOCNR2CDK4CCND3GSK3B
SCHEMBL14028395 0.79 KMO (0.47) KMOCNR2CDK4CCND3GSK3B
SCHEMBL14028206 0.79 KMO (0.44) 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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