SCHEMBL3889283

SCHEMBL3889283

O=C(Nc1ccc(C(F)(F)C(F)(F)F)c(CN2CCNCC2)c1)c1cccnc1Nc1ccc2cn[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.53
TRPV1 Q8NER1 6/20 0.45
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CCR3 P51677 2/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
CFTR P13569 1/20 0.39
MET P08581 1/20 0.39
ATR Q13535 1/20 0.38
ABL1 P00519 3/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
SYK P43405 1/20 0.38
BTK Q06187 1/20 0.38
SRC P12931 1/20 0.38

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
SCHEMBL3890004 0.93 KDR (0.53) KDRTRPV1HPGDNPC1RAB9A
SCHEMBL3891778 0.92 KDR (0.53) KDRTRPV1HPGDNPC1RAB9A
Hydrochloric Acid SCHEMBL3896853 0.91 KDR (0.52) KDRTRPV1HPGDNPC1RAB9A
SCHEMBL3903575 0.88 KDR (0.51) KDRTRPV1HPGDNPC1RAB9A
SCHEMBL3889297 0.83 KDR (0.54) KDRTRPV1HPGDNPC1RAB9A
SCHEMBL3893122 0.81 KDR (0.54) KDRTRPV1HPGDNPC1RAB9A
SCHEMBL5416882 0.81 MKNK1 (0.44) KDRMKNK1MKNK2ABL1
SCHEMBL3891363 0.81 KDR (0.53) KDRTRPV1HPGDNPC1RAB9A
SCHEMBL3890419 0.80 KDR (0.57) KDRTRPV1HPGDNPC1RAB9A
SCHEMBL447153 0.80 KDR (0.57) KDRABL1PDGFRBPDGFRA

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 22 patents — showing the first 20. 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-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-1467721-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS Amgen Inc. (US) 2004-10-20 EP disclosed
EP-1465892-A1 GLYCINAMIDES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2004-10-13 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-2003048158-A1 GLYCINAMIDES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-12 WO 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 13/4885TRPV1 3811/4885HPGD 99/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 KDR 13/4885TRPV1 3811/4885HPGD 99/4885
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 51/4885TRPV1 2447/4885HPGD 11/4885

“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.