SCHEMBL4554905

SCHEMBL4554905

O=C(Nc1ccc(C(OCC2CCCN2)(C(F)(F)F)C(F)(F)F)cc1)c1cccnc1Nc1ccc2cn[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.56
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
TRPV1 Q8NER1 3/20 0.38
SYK P43405 3/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
MAPT P10636 4/20 0.37
GAA P10253 2/20 0.37
BTK Q06187 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 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
SCHEMBL4554783 0.94 KDR (0.52) KDRRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL3903045 0.86 KDR (0.55) KDRRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL198207 0.86 KDR (0.55) KDRRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL3889307 0.85 KDR (0.52) KDRRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL3893146 0.85 KDR (0.52) KDRRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL3902119 0.85 KDR (0.52) KDRRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL3890580 0.85 KDR (0.54) KDRRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL13867920 0.85 KDR (0.54) KDRRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL4561023 0.84 KDR (0.51) KDRRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL13867931 0.82 KDR (0.54) KDRRAB9ANPC1SMN1; SMN2HPGD

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 13/4885RAB9A 2278/4885NPC1 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.