SCHEMBL3894342

SCHEMBL3894342

O=C(Nc1ccc(C(F)(F)C(F)(F)F)c(OCC(O)CN2CCCC2)c1)c1cccnc1Nc1ccc2cn[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.51
MET P08581 1/20 0.44
TRPV1 Q8NER1 7/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 2/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AURKA O14965 1/20 0.38
ABCB1 P08183 2/20 0.37
KDM4E B2RXH2 1/20 0.37
FLT1 P17948 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
SMYD2 Q9NRG4 1/20 0.35

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
SCHEMBL13867910 1.00 KDR (0.51) KDRMETTRPV1NPC1RAB9A
SCHEMBL13867915 1.00 KDR (0.51) KDRMETTRPV1NPC1RAB9A
SCHEMBL3891363 0.89 KDR (0.53) KDRMETTRPV1NPC1RAB9A
SCHEMBL7059601 0.83 KDR (0.52) KDRMETTRPV1NPC1RAB9A
SCHEMBL3892489 0.83 KDR (0.55) KDRMETTRPV1NPC1RAB9A
Hydrochloric Acid SCHEMBL3903701 0.83 KDR (0.54) KDRMETTRPV1NPC1RAB9A
SCHEMBL3891803 0.82 KDR (0.51) KDRMETTRPV1NPC1RAB9A
SCHEMBL3893118 0.82 KDR (0.52) KDRMETTRPV1NPC1RAB9A
SCHEMBL448598 0.81 MAPT (0.49) RAB9ASMN1; SMN2ABCB1KDM4E
SCHEMBL4097418 0.81 MAPT (0.49) RAB9ASMN1; SMN2ABCB1KDM4E

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4338974-B2 2009-10-07 JP claimed
US-7514564-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2009-04-07 US claimed
US-7105682-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2006-09-12 US claimed
EP-1467721-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS Amgen Inc. (US) 2004-10-20 EP claimed
JP-2004527499-A 2004-09-09 JP claimed
US-20030195230-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-16 US claimed
WO-2002068406-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS AMGEN INC. (US) 2002-09-06 WO claimed
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 13/4885MET 287/4885TRPV1 3811/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 KDR 13/4885MET 287/4885TRPV1 3811/4885
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 51/4885MET 930/4885TRPV1 2447/4885

“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.