SCHEMBL4100756

SCHEMBL4100756

O=C(NCCc1cccc(Oc2ccnc(C3=NCCN3)c2)c1)c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.51
RAF1 P04049 6/20 0.48
BRAF P15056 2/20 0.48
TRPV1 Q8NER1 2/20 0.41
RET P07949 1/20 0.41
FLT1 P17948 1/20 0.40
KDR P35968 1/20 0.40
WDR5 P61964 2/20 0.40
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ROS1 P08922 1/20 0.40
ALK Q9UM73 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL4115578 0.95 RAF1 (0.47) CDK8RAF1BRAFRETFLT1
SCHEMBL4119562 0.95 CDK8 (0.49) CDK8RAF1BRAFTRPV1RET
SCHEMBL4105629 0.91 CDK8 (0.41) CDK8RAF1BRAFTRPV1KDR
SCHEMBL14266570 0.88 CDK8 (0.49) CDK8KDRKDM4EALDH1A1
SCHEMBL4117437 0.87 NPC1 (0.48) TRPV1WDR5KDM4ESMN1; SMN2
SCHEMBL14266530 0.87 RAB9A (0.44) TRPV1WDR5KDM4ESMN1; SMN2
SCHEMBL4118391 0.86 TRPV1 (0.46) BRAFTRPV1KDM4E
SCHEMBL4094674 0.86 WDR5 (0.46) TRPV1WDR5KDM4ESMN1; SMN2
SCHEMBL4107435 0.83 RAB9A (0.51) FLT1KDRWDR5KDM4EALDH1A1
SCHEMBL5118325 0.83 RAB9A (0.51) WDR5KDM4EHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061761-A1 PHENETHYLAMIDE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY Millennium Pharmaceuticals, Inc. (US) 2009-05-27 EP 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
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
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 369/4885RAF1 251/4885BRAF 242/4885

“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.