SCHEMBL3988798

SCHEMBL3988798

CNC(=O)c1cc(Oc2cccc(CCNC(=O)c3ccccc3-c3ccccc3)c2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.48
RAF1 P04049 4/20 0.48
KDR P35968 6/20 0.46
FDFT1 P37268 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
RAB9A P51151 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL3987237 0.88 BRAF (0.50) BRAFRAF1KDRFDFT1KMT2A
SCHEMBL3992270 0.86 MAPK8 (0.56)
SCHEMBL14266579 0.86 CSF1R (0.49) BRAFRAF1KDRRAB9AKMT2A
SCHEMBL5123752 0.85 KMT2A (0.51) BRAFRAF1KDRKMT2A
SCHEMBL14266590 0.85 KDR (0.53) BRAFRAF1KDRFDFT1RAB9A
SCHEMBL3990801 0.84 BRAF (0.45) BRAFRAF1KDRFDFT1
SCHEMBL3991170 0.84 BRAF (0.51) BRAFRAF1KDRRAB9A
SCHEMBL4099928 0.84 HIF1A (0.48) BRAFRAF1KDRRAB9A
SCHEMBL3985943 0.83 BRAF (0.56) BRAFRAF1KDRRAB9AKMT2A
SCHEMBL14266560 0.83 BRAF (0.48) BRAFRAF1KDR

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 5 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
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 BRAF 242/4885RAF1 251/4885KDR 1073/4885

“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.