SCHEMBL3989035

SCHEMBL3989035

CNC(=O)c1cc(Oc2cccc(CCNC(=O)c3ccc(C)c(F)c3)c2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.49
RAF1 P04049 2/20 0.49
KDR P35968 6/20 0.46
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 3/20 0.44
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
RET P07949 2/20 0.42
CSF1R P07333 2/20 0.42
MAPK14 Q16539 2/20 0.42
MAP3K20 Q9NYL2 2/20 0.42
PLK4 O00444 1/20 0.42
AURKA O14965 1/20 0.42
MAPK13 O15264 1/20 0.42
JAK2 O60674 1/20 0.42
MAP4K4 O95819 1/20 0.42
ABL1 P00519 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
SCHEMBL3985600 0.93 BRAF (0.49) BRAFRAF1KDRCA1CA2
SCHEMBL14266592 0.93 BRAF (0.51) BRAFRAF1KDRCA1CA2
SCHEMBL14266597 0.92 BRAF (0.49) BRAFRAF1KDRCA1CA2
SCHEMBL3986557 0.89 CSF1R (0.49) BRAFRAF1KDRCA1CA2
SCHEMBL14266601 0.89 BRAF (0.48) BRAFRAF1KDRCA1CA2
SCHEMBL14266605 0.88 BRAF (0.55) BRAFRAF1KDRCA1CA2
SCHEMBL14266582 0.88 RAB9A (0.51) BRAFRAF1KDRCA1CA2
SCHEMBL3986457 0.87 NPC1 (0.56) BRAFRAF1KDRRAB9AMAPT
SCHEMBL5123479 0.87 RAF1 (0.57) BRAFRAF1KDRCA7CA9
SCHEMBL5123404 0.86 DDR2 (0.49) BRAFRAF1KDRCA1CA2

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.