SCHEMBL3147544

SCHEMBL3147544

CC1(C)CNCc2cc(NC(=O)c3cccnc3NCc3ccc4ncccc4c3)ccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.59
CIT O14578 1/20 0.59
MAP3K7 O43318 1/20 0.59
RIPK2 O43353 1/20 0.59
STK10 O94804 1/20 0.59
MAP4K4 O95819 1/20 0.59
ABL1 P00519 1/20 0.59
EGFR P00533 1/20 0.59
RAF1 P04049 1/20 0.59
LCK P06239 1/20 0.59
FYN P06241 1/20 0.59
CSF1R P07333 1/20 0.59
YES1 P07947 1/20 0.59
LYN P07948 1/20 0.59
RET P07949 1/20 0.59
HCK P08631 1/20 0.59
PDGFRB P09619 1/20 0.59
FGR P09769 1/20 0.59
KIT P10721 1/20 0.59
FGFR1 P11362 1/20 0.59

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
SCHEMBL6104964 0.88 KDR (0.64) KDRCITMAP3K7RIPK2STK10
SCHEMBL444745 0.88 KDR (0.76) KDRCITMAP3K7RIPK2STK10
SCHEMBL3147734 0.86 KDR (0.62) KDRCITMAP3K7RIPK2STK10
SCHEMBL3154986 0.85 KDR (0.63) KDRCITMAP3K7RIPK2STK10
SCHEMBL3155539 0.85 KDR (0.60) KDRCITMAP3K7RIPK2STK10
SCHEMBL428215 0.84 KDR (0.56) KDRCITMAP3K7RIPK2STK10
SCHEMBL3154513 0.84 KDR (0.55) KDRCITMAP3K7RIPK2STK10
SCHEMBL3159423 0.83 KDR (0.58) KDRCITMAP3K7RIPK2STK10
SCHEMBL13454462 0.82 KDR (0.57) KDRCITMAP3K7RIPK2STK10
SCHEMBL3154257 0.82 KDR (0.56) KDRCITMAP3K7RIPK2STK10

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-20050261313-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2005-11-24 US claimed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 US claimed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US claimed
EP-1537084-B1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC (US) 2013-08-21 EP disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
US-20050261313-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2005-11-24 US disclosed
EP-1537084-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF Amgen Inc. (US) 2005-06-08 EP disclosed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 US disclosed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 WO disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US 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 (2 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-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC KDR 15/4885CIT 2898/4885MAP3K7 2227/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC KDR 15/4885CIT 2898/4885MAP3K7 2227/4885

“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.