SCHEMBL14028486

SCHEMBL14028486

O=C(C1CCOCC1)N(c1ccc(C(F)(F)F)cc1)c1nccc(-c2cccc(Cl)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 6/20 0.43
▸ KMO O15229 2/20 0.41
▸ HDAC8 Q9BY41 3/20 0.41
▸ HDAC6 Q9UBN7 3/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.38
▸ CDK4 P11802 1/20 0.37
▸ CCND3 P30281 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ CAMK2D Q13557 1/20 0.37
▸ CDK2 P24941 5/20 0.36
▸ CCNA2 P20248 4/20 0.36
▸ MAPK3 P27361 4/20 0.36
▸ MAPK1 P28482 4/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PLK1 P53350 1/20 0.36
▸ SMG1 Q96Q15 2/20 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 0.94 KMO (0.45) CNR2KMOHDAC8HDAC6CDK4
SCHEMBL14028390 0.91 KMO (0.43) CNR2KMOHDAC8HDAC6CDK4
SCHEMBL2953842 0.82 KMO (0.48) CNR2KMOCDK4CCND3GSK3B
SCHEMBL14028481 0.80 KMO (0.46) CNR2KMOCDK4CCND3GSK3B
SCHEMBL14028485 0.80 KMO (0.46) CNR2KMOCDK4CCND3GSK3B
SCHEMBL14028199 0.79 KMO (0.46) CNR2KMOCDK4CCND3GSK3B
SCHEMBL14028201 0.79 KMO (0.48) CNR2KMOCDK4CCND3GSK3B
SCHEMBL14028231 0.79 KMO (0.46) CNR2KMOCDK4CCND3GSK3B
SCHEMBL14003549 0.79 KMO (0.44) KMOHDAC1CDK2CCNA2
SCHEMBL14028206 0.78 KMO (0.44) CNR2KMOCDK4CCND3GSK3B

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 CNR2 462/4885KMO 716/4885HDAC8 2187/4885

“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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