SCHEMBL14028842

SCHEMBL14028842

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 3/20 0.41
▸ CAMK2D Q13557 1/20 0.36
▸ NOD1 Q9Y239 2/20 0.36
▸ NOD2 Q9HC29 1/20 0.36
▸ SYK P43405 2/20 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
▸ LTB4R Q15722 2/20 0.34
▸ LIPE Q05469 1/20 0.34
▸ CDK4 P11802 1/20 0.33
▸ CCND3 P30281 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ PLK1 P53350 1/20 0.33
▸ MET P08581 1/20 0.33
▸ CNR2 P34972 2/20 0.33
▸ TRPV1 Q8NER1 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
SCHEMBL14028843 0.95 KMO (0.42) KMOCAMK2DNOD1NOD2CYP3A4
SCHEMBL14028801 0.92 KMO (0.41) KMONOD1NOD2CYP3A4CYP2C19
SCHEMBL14003561 0.90 KDM4E (0.40) KMONOD1NOD2LIPECDK4
SCHEMBL14003552 0.89 KMO (0.38) KMONOD1NOD2CYP3A4CYP2C19
SCHEMBL14003551 0.89 KMO (0.38) KMONOD1NOD2CYP3A4CYP2C19
SCHEMBL14003560 0.88 KMO (0.41) KMONOD1NOD2CYP3A4CYP2C19
SCHEMBL14028798 0.87 KMO (0.43) KMOSYKLIPECDK4CCND3
SCHEMBL14003548 0.87 KMO (0.39) KMONOD1NOD2CYP3A4CYP2C19
SCHEMBL14003547 0.87 KMO (0.39) KMONOD1NOD2CYP3A4CYP2C19
SCHEMBL3138575 0.86 KMO (0.38) KMONOD1NOD2CYP3A4CYP2C19

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 716/4885CAMK2D 3622/4885NOD1 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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