SCHEMBL3138575

SCHEMBL3138575

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 2/20 0.38
▸ CDK1 P06493 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ CCNT1 O60563 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ CCNB1 P14635 1/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ CCNA2 P20248 1/20 0.38
▸ CCND1 P24385 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CDK7 P50613 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CCNH P51946 1/20 0.38
▸ MNAT1 P51948 1/20 0.38

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
SCHEMBL14003570 0.95 KMO (0.39) KMOCDK4NOD1NOD2TRPV1
SCHEMBL14028801 0.92 KMO (0.41) KMOCDK1MAPK1NPC1CCNT1
SCHEMBL14028842 0.86 KMO (0.41) KMOCDK4NOD1NOD2TRPV1
SCHEMBL14028843 0.86 KMO (0.42) KMOCDK4NOD1NOD2TRPV1
SCHEMBL2953240 0.85 KMO (0.38) KMOCDK4NOD1NOD2TRPV1
SCHEMBL30332807 0.85 KMO (0.38) KMOCDK4NOD1NOD2TRPV1
SCHEMBL14003561 0.84 KDM4E (0.40) KMOCDK4NOD1NOD2KDR
SCHEMBL14003560 0.84 KMO (0.41) KMOCDK4NOD1NOD2CYP3A4
SCHEMBL14028798 0.84 KMO (0.43) KMOMAPTCDK4TRPA1MRGPRX4
SCHEMBL14003555 0.83 TRPV1 (0.37) KMONOD1NOD2TRPV1TRPA1

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-7759357-B2 Phenylpyrimidine amines as IgE inhibitors NOVARTIS AG (CH) 2010-07-20 — — US disclosed
US-20070281956-A1 Phenylpyrimidine amines as IgE inhibitors NOVARTIS AG (CH) 2007-12-06 — — 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-20070281956-A1 Phenylpyrimidine amines as IgE inhibitors FCER2, SELP, FCGR2A KMO 2307/4885CDK1 1595/4885MAPK1 3207/4885

“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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