SCHEMBL5116674

SCHEMBL5116674

N#Cc1cc(Oc2cccc(CCNC(=O)c3cccc(C(F)(F)F)c3)c2)ccn1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.49
KDR P35968 1/20 0.48
MAPK14 Q16539 1/20 0.48
RAB9A P51151 1/20 0.47
POLB P06746 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HRH3 Q9Y5N1 1/20 0.46
GPR52 Q9Y2T5 2/20 0.45
CTSL P07711 1/20 0.45
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
PARP1 P09874 1/20 0.44
NAMPT P43490 1/20 0.43
TP53BP1 Q12888 1/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL3986169 0.86 KDR (0.56) CDK8KDRRAB9AALDH1A1SMN1; SMN2
SCHEMBL14273279 0.86 CDK8 (0.51) CDK8KDRMAPK14POLBALDH1A1
SCHEMBL3986245 0.84 CDK8 (0.50) CDK8KDRMAPK14POLBALDH1A1
SCHEMBL3984330 0.84 KDR (0.67) CDK8KDRMAPK14POLBALDH1A1
SCHEMBL3984127 0.83 GPR52 (0.52) CDK8KDRMAPK14POLBALDH1A1
SCHEMBL3992343 0.83 MAPK14 (0.49) CDK8KDRMAPK14POLBALDH1A1
SCHEMBL14266570 0.81 CDK8 (0.49) CDK8KDRMAPK14POLBALDH1A1
SCHEMBL3986477 0.81 KDR (0.59) CDK8KDR
SCHEMBL4118924 0.81 KDR (0.51) CDK8KDRMAPK14POLBALDH1A1
SCHEMBL4108302 0.79 CDK8 (0.47) CDK8KDRMAPK14POLBALDH1A1

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 4 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
WO-2008030448-A1 PHENETHYLAMIDE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 WO 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 CDK8 369/4885KDR 1073/4885MAPK14 244/4885

“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.