SCHEMBL3889307

SCHEMBL3889307

O=C(Nc1ccc(C(F)(F)C(F)(F)F)c(OC[C@H]2CCCN2)c1)c1cccnc1Nc1ccc2cn[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.52
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 2/20 0.42
TRPV1 Q8NER1 2/20 0.40
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MET P08581 2/20 0.37
SYK P43405 4/20 0.36
IRAK4 Q9NWZ3 4/20 0.36
MAPK1 P28482 2/20 0.36
DAPK3 O43293 2/20 0.36
PRKD3 O94806 2/20 0.36
MAP4K4 O95819 2/20 0.36
PAK4 O96013 2/20 0.36
PIM1 P11309 2/20 0.36
PRKACA P17612 2/20 0.36
CDK2 P24941 2/20 0.36
FLT3 P36888 2/20 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
SCHEMBL3893146 1.00 KDR (0.52) KDRNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL3902119 1.00 KDR (0.52) KDRNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4561023 0.98 KDR (0.51) KDRNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL3890580 0.94 KDR (0.54) KDRNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL13867920 0.94 KDR (0.54) KDRNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL3892509 0.92 KDR (0.54) KDRNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL13867931 0.92 KDR (0.54) KDRNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL7059601 0.86 KDR (0.52) KDRNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL3893118 0.86 KDR (0.52) KDRNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4554905 0.85 KDR (0.56) KDRNPC1RAB9ASMN1; 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
US-7514564-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2009-04-07 US disclosed
US-7514564-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2009-04-07 US disclosed
US-7514564-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2009-04-07 US disclosed
US-7105682-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2006-09-12 US disclosed
US-7102009-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2006-09-05 US disclosed
US-20060194848-A1 e.g. 2-(1H-indazol-6-ylamino)-N-[3-(3-morpholin-4-yl-propyl)-5-trifluoromethyl-phenyl]-nicotinamide; angiogenesis inhibitors, antiproliferative or anticarcinogenic agents AMGEN INC. 2006-08-31 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
US-20030195230-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-16 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 (3 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
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 KDR 13/4885NPC1 782/4885RAB9A 2278/4885
US-20060194848-A1 e.g. 2-(1H-indazol-6-ylamino)-N-[3-(3-morpholin-4-yl-propyl)-5-trifluoromethyl-phenyl]-nicotinamide; angiogenesis inhibitors, antiproliferative or anticarcinogenic agents NNT, NAMPT, NNMT KDR 51/4885NPC1 424/4885RAB9A 2659/4885

“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.