SCHEMBL5115943

SCHEMBL5115943

CC(=O)Nc1cc(Oc2cccc(CCNC(=O)c3cc(C(C)(C)N)cc(C(F)(F)F)c3)c2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRAF P15056 11/20 0.44
RAF1 P04049 5/20 0.43
NR3C2 P08235 2/20 0.43
GPR52 Q9Y2T5 1/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
GRM5 P41594 1/20 0.41
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
PDGFRB P09619 1/20 0.40
KIT P10721 1/20 0.40
SRC P12931 1/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
KCNH2 Q12809 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
SCHEMBL3984127 0.90 GPR52 (0.52) BRAFNR3C2GPR52GRM5KDR
SCHEMBL4115551 0.85 BRAF (0.50) BRAFNR3C2GPR52CA1CA2
SCHEMBL4097679 0.85 BRAF (0.43) BRAFRAF1NR3C2CA1CA2
SCHEMBL3989075 0.82 GPR52 (0.50) BRAFNR3C2GPR52KDR
SCHEMBL3986272 0.82 NR3C2 (0.45) BRAFRAF1NR3C2GPR52CA1
SCHEMBL4293095 0.82 GRM5 (0.49) BRAFNR3C2CA1CA2CA7
SCHEMBL3994618 0.82 RAF1 (0.54) BRAFRAF1GRM5KDR
SCHEMBL5119964 0.81 NPC1 (0.55) BRAFNR3C2GRM5
SCHEMBL3986152 0.80 GRM5 (0.56) BRAFNR3C2CA1CA2CA7
SCHEMBL3991944 0.80 GRM5 (0.58) GRM5KCNH2

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 3 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

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 251/4885NR3C2 3563/4885

“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.