SCHEMBL4554949

SCHEMBL4554949

CC(C)(C)OC(=O)N1CC(COc2cc(NC(=O)c3cccnc3Nc3ccc4cn[nH]c4c3)ccc2C(C)(C)C)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.52
TRPV1 Q8NER1 6/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
BTK Q06187 2/20 0.39
SYK P43405 1/20 0.39
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
ERBB3 P21860 1/20 0.37
ERBB4 Q15303 1/20 0.37
MET P08581 1/20 0.37
FLT1 P17948 1/20 0.37
P2RX3 P56373 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
ROCK2 O75116 1/20 0.36

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
SCHEMBL3901456 0.87 KDR (0.51) KDRTRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL13867926 0.87 KDR (0.51) KDRTRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL3891634 0.87 KDR (0.55) KDRTRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL631358 0.84 KDR (0.55) KDRTRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL5873426 0.84 KDR (0.51) KDRTRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL3892509 0.83 KDR (0.54) KDRTRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL13867931 0.83 KDR (0.54) KDRTRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL3901531 0.82 KDR (0.52) KDRTRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL5873423 0.81 KDR (0.51) KDRTRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL447937 0.81 RBP4 (0.42) KDRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4392348-B2 2009-12-24 JP claimed
US-7102009-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2006-09-05 US claimed
JP-2006502118-A 2006-01-19 JP claimed
EP-1562933-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS Amgen Inc. (US) 2005-08-17 EP claimed
WO-2004007481-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATES DISORDERS AMGEN INC. (US) 2004-01-22 WO claimed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 US claimed
US-7102009-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2006-09-05 US disclosed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 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-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 KDR 13/4885TRPV1 3811/4885NPC1 782/4885

“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.