SCHEMBL14028480

SCHEMBL14028480

CN(c1ccc(Cl)c(C(F)(F)F)c1)c1nccc(-c2cccc(Cl)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.45
▸ CDK4 P11802 1/20 0.45
▸ CCND3 P30281 1/20 0.45
▸ KMO O15229 2/20 0.42
▸ PLK1 P53350 1/20 0.40
▸ S1PR1 P21453 1/20 0.37
▸ CNR2 P34972 3/20 0.37
▸ BRAF P15056 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ DOT1L Q8TEK3 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ GRM4 Q14833 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MITF O75030 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ GRM5 P41594 1/20 0.36

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
SCHEMBL2951568 0.85 KMO (0.44) GSK3BCDK4CCND3KMOPLK1
SCHEMBL7626033 0.79 KMO (0.55) KMOGRIN2B
SCHEMBL2956376 0.74 PLK1 (0.68) GSK3BCDK4CCND3PLK1BRAF
SCHEMBL14028481 0.72 KMO (0.46) GSK3BCDK4CCND3KMOPLK1
SCHEMBL2953842 0.72 KMO (0.48) GSK3BCDK4CCND3KMOPLK1
SCHEMBL14028485 0.70 KMO (0.46) GSK3BCDK4CCND3KMOPLK1
SCHEMBL14028231 0.70 KMO (0.46) GSK3BCDK4CCND3KMOPLK1
SCHEMBL14028199 0.70 KMO (0.46) GSK3BCDK4CCND3KMOPLK1
SCHEMBL27138987 0.69 KMO (0.47) GSK3BKMOGRM5SMN1; SMN2
SCHEMBL2364223 0.69 EGFR (0.39) KMOPLK1GRM4MAPT

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 GSK3B 4583/4885CDK4 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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