SCHEMBL3894064

SCHEMBL3894064

CC(C1CCNCC1)N1CC(C)(C)c2ccc(NC(=O)c3cccnc3Nc3ccc4cn[nH]c4c3)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.52
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
TRPV1 Q8NER1 4/20 0.40
FLT1 P17948 3/20 0.39
MAP4K4 O95819 2/20 0.39
EGFR P00533 2/20 0.39
LCK P06239 2/20 0.39
CSF1R P07333 2/20 0.39
RET P07949 2/20 0.39
KIT P10721 2/20 0.39
FGFR1 P11362 2/20 0.39
FLT3 P36888 2/20 0.39
FRK P42685 2/20 0.39
BLK P51451 2/20 0.39
PTK6 Q13882 2/20 0.39
SLK Q9H2G2 2/20 0.39
MAP3K20 Q9NYL2 2/20 0.39

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
SCHEMBL3892504 0.89 KDR (0.53) KDRNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL3891734 0.87 KDR (0.51) KDRNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL187741 0.84 KDR (0.57) KDRNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL3891446 0.83 KDR (0.53) KDRNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL6054218 0.82 KDR (0.51) KDRNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL6054204 0.82 KDR (0.56) KDRNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL445721 0.82 ABL1 (0.41) KDRSMN1; SMN2FLT1MAP4K4EGFR
SCHEMBL5524330 0.81 KDR (0.55) KDRNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL3894062 0.81 KDR (0.51) KDRNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL445477 0.80 KDR (0.62) KDRFLT1MAP4K4EGFRLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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.