SCHEMBL5129564

SCHEMBL5129564

O=C(NCCc1cccc(Oc2ccnc(C3=NCCN3)c2)c1)c1cc(C(F)(F)F)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 3/20 0.44
MGLL Q99685 1/20 0.39
PPARG P37231 3/20 0.39
PPARD Q03181 3/20 0.39
PPARA Q07869 3/20 0.39
WDR5 P61964 1/20 0.39
ADRB1 P08588 2/20 0.38
ADRB3 P13945 2/20 0.38
CDK8 P49336 1/20 0.38
MAPK14 Q16539 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
PARP1 P09874 1/20 0.36
KDR P35968 2/20 0.36
BRAF P15056 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
SCHEMBL14273259 0.89 KDR (0.47) WDR5ADRB1ADRB3KDR
SCHEMBL14266570 0.89 CDK8 (0.49) GPR52CDK8MAPK14PARP1KDR
SCHEMBL4105629 0.86 CDK8 (0.41) PPARGWDR5CDK8TRPV1KDR
SCHEMBL14273260 0.83 GPR52 (0.49) GPR52MGLLPPARGPPARDPPARA
SCHEMBL3549021 0.82 RIPK1 (0.48) KDRBRAF
SCHEMBL14266530 0.82 RAB9A (0.44) WDR5TRPV1
SCHEMBL3989075 0.82 GPR52 (0.50) GPR52PPARGPPARDPPARAMAPK14
SCHEMBL4118391 0.82 TRPV1 (0.46) MAPK14TRPV1BRAF
SCHEMBL4094674 0.81 WDR5 (0.46) WDR5TRPV1
SCHEMBL4117437 0.81 NPC1 (0.48) WDR5ADRB3TRPV1PARP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 US disclosed
US-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 US disclosed
US-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 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-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MAP4K5, MAP3K5, MAP4K2 GPR52 1892/4885MGLL 2481/4885PPARG 3456/4885

“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.