SCHEMBL3894734

SCHEMBL3894734

O=C(O)c1cccnc1Nc1ccc2cn[nH]c2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.69
SYK P43405 5/20 0.61
DAPK3 O43293 3/20 0.61
PRKD3 O94806 3/20 0.61
MAP4K4 O95819 3/20 0.61
PAK4 O96013 3/20 0.61
PIM1 P11309 3/20 0.61
PRKACA P17612 3/20 0.61
CDK2 P24941 3/20 0.61
FLT3 P36888 3/20 0.61
CSNK1A1 P48729 3/20 0.61
CLK2 P49760 3/20 0.61
CDK9 P50750 3/20 0.61
JAK3 P52333 3/20 0.61
CDK5 Q00535 3/20 0.61
MAP4K2 Q12851 3/20 0.61
STK3 Q13188 3/20 0.61
DYRK1A Q13627 3/20 0.61
PKN2 Q16513 3/20 0.61
HIPK2 Q9H2X6 3/20 0.61

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
SCHEMBL4435114 0.89 KDR (0.65) KDRSYKDAPK3PRKD3MAP4K4
Hydrochloric Acid SCHEMBL6246305 0.88 KDR (0.64) KDRSYKDAPK3PRKD3MAP4K4
SCHEMBL13867837 0.85 KDR (0.80) KDRSYKDAPK3PRKD3MAP4K4
SCHEMBL3891347 0.83 KDR (0.75) KDRSYKDAPK3PRKD3MAP4K4
Hydrochloric Acid SCHEMBL3896569 0.82 KDR (0.74) KDRSYKDAPK3PRKD3MAP4K4
SCHEMBL3890896 0.82 KDR (1.00) KDRSYKDAPK3PRKD3MAP4K4
SCHEMBL13867811 0.82 KDR (0.67) KDRSYKDAPK3PRKD3MAP4K4
SCHEMBL3903732 0.82 KDR (0.73) KDRSYKDAPK3PRKD3MAP4K4
SCHEMBL4566509 0.81 KDR (0.59) KDRSYKDAPK3PRKD3MAP4K4
SCHEMBL187444 0.81 KDR (0.72) KDRSYKDAPK3PRKD3MAP4K4

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-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
EP-1467721-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS Amgen Inc. (US) 2004-10-20 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
WO-2002068406-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS AMGEN INC. (US) 2002-09-06 WO 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 13/4885SYK 678/4885DAPK3 2776/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 KDR 13/4885SYK 678/4885DAPK3 2776/4885
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 51/4885SYK 3136/4885DAPK3 1462/4885

“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.