SCHEMBL4554773

SCHEMBL4554773

CN(C)CC(=O)Nc1cc(NC(=O)c2cccnc2Nc2ccc3cn[nH]c3c2)ccc1C(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.57
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
SYK P43405 3/20 0.43
BTK Q06187 2/20 0.43
JAK2 O60674 3/20 0.43
JAK1 P23458 2/20 0.43
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
ALK Q9UM73 2/20 0.40
TRPV1 Q8NER1 2/20 0.40
FLT1 P17948 2/20 0.40
CFTR P13569 1/20 0.40
MAP4K4 O95819 3/20 0.40
CLK2 P49760 3/20 0.40
DYRK1A Q13627 3/20 0.40
CLK4 Q9HAZ1 3/20 0.40
ROCK1 Q13464 2/20 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
SCHEMBL4553908 0.86 KDR (0.54) KDRNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL3894031 0.86 KDR (0.58) KDRNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL3891570 0.86 KDR (0.58) KDRNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL4554698 0.85 WNT3A (0.54) KDRNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL4554160 0.84 KDR (0.60) KDRNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL3889743 0.83 KDR (0.64) KDRNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL3890853 0.81 KDR (0.55) KDRNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL3891272 0.81 KDR (0.60) KDRNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL187444 0.81 KDR (0.72) KDRNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL3891696 0.80 KDR (0.66) KDRNPC1RAB9AHPGDSMN1; SMN2

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 13/4885NPC1 782/4885RAB9A 2278/4885

“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.