SCHEMBL3892504

SCHEMBL3892504

CC1(C)CN(C2CCNCC2)c2cc(NC(=O)c3cccnc3Nc3ccc4cn[nH]c4c3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.53
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 5/20 0.41
FLT1 P17948 2/20 0.38
PDGFRB P09619 2/20 0.38
PDGFRA P16234 2/20 0.38
MAP4K4 O95819 2/20 0.38
CIT O14578 1/20 0.38
MAP3K7 O43318 1/20 0.38
RIPK2 O43353 1/20 0.38
STK10 O94804 1/20 0.38
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
RAF1 P04049 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
CSF1R P07333 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
SCHEMBL3891446 0.93 KDR (0.53) KDRNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL3894064 0.89 KDR (0.52) KDRNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL3891734 0.88 KDR (0.51) KDRNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL187741 0.85 KDR (0.57) KDRNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL6054218 0.84 KDR (0.51) KDRNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL6054204 0.84 KDR (0.56) KDRNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL5524330 0.82 KDR (0.55) KDRNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL3894062 0.82 KDR (0.51) KDRNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL187362 0.81 KDR (0.53) KDRNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL3957417 0.81 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 15 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 claimed
US-7105682-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2006-09-12 US claimed
US-20030195230-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-16 US 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-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 13/4885NPC1 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.