SCHEMBL3992181

SCHEMBL3992181

CNC(=O)c1cc(Oc2cccc(CCNC(=O)c3ccc(Cl)cc3)c2)ccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.54
RAF1 P04049 3/20 0.54
PSEN1 P49768 1/20 0.52
PSEN2 P49810 1/20 0.52
APH1B Q8WW43 1/20 0.52
NCSTN Q92542 1/20 0.52
APH1A Q96BI3 1/20 0.52
PSENEN Q9NZ42 1/20 0.52
KDR P35968 4/20 0.52
GAA P10253 1/20 0.48
P2RX3 P56373 2/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA7 P43166 3/20 0.48
CA9 Q16790 3/20 0.48
CA14 Q9ULX7 3/20 0.48
RAB9A P51151 2/20 0.48
TRPV1 Q8NER1 1/20 0.48
MAPK14 Q16539 1/20 0.47
RET P07949 1/20 0.47

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
SCHEMBL14266535 0.92 BRAF (0.54) BRAFRAF1KDRGAAP2RX3
SCHEMBL14266607 0.91 BRAF (0.53) BRAFRAF1KDRGAARAB9A
SCHEMBL5124752 0.91 KDR (0.51) BRAFRAF1KDRCA1CA2
SCHEMBL14266582 0.91 RAB9A (0.51) BRAFRAF1KDRP2RX3CA1
SCHEMBL3991957 0.90 BRAF (0.51) BRAFRAF1KDRCA1CA2
SCHEMBL3991948 0.90 KDM5B (0.51) BRAFRAF1KDRCA1CA2
SCHEMBL4289196 0.90 RAB9A (0.55) BRAFRAF1KDRCA1CA2
SCHEMBL14266605 0.90 BRAF (0.55) BRAFRAF1KDRGAAP2RX3
SCHEMBL14273316 0.89 CA1 (0.50) BRAFRAF1PSEN1PSEN2APH1B
SCHEMBL5124183 0.89 BRAF (0.54) BRAFRAF1PSEN1PSEN2APH1B

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 251/4885PSEN1 819/4885

“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.