SCHEMBL4554783

SCHEMBL4554783

O=C(Nc1cccc(C(OCC2CCCN2)(C(F)(F)F)C(F)(F)F)c1)c1cccnc1Nc1ccc2cn[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.52
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 4/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SYK P43405 1/20 0.39
BTK Q06187 1/20 0.39
GMNN O75496 1/20 0.39
TTR P02766 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL4554905 0.94 KDR (0.56) KDRHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL3903045 0.85 KDR (0.55) KDRHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL198207 0.85 KDR (0.55) KDRHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL3889307 0.85 KDR (0.52) KDRHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL3893146 0.85 KDR (0.52) KDRHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL3902119 0.85 KDR (0.52) KDRHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL3890580 0.85 KDR (0.54) KDRHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL13867920 0.85 KDR (0.54) KDRHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL4561023 0.83 KDR (0.51) KDRHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL13867931 0.82 KDR (0.54) KDRHPGDSMN1; SMN2NPC1RAB9A

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 10 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
EP-1562933-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS Amgen Inc. (US) 2005-08-17 EP disclosed
WO-2004007481-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATES DISORDERS AMGEN INC. (US) 2004-01-22 WO 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 13/4885HPGD 99/4885SMN1; SMN2 1788/4885

“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.