SCHEMBL3146339

SCHEMBL3146339

Cc1nnc(C(C)(C)c2ccc(NC(=O)c3cccnc3NCc3ccc4c(c3)CCO4)cc2)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.49
AURKA O14965 2/20 0.44
RPS6KB1 P23443 2/20 0.44
ABCB1 P08183 2/20 0.43
AURKB Q96GD4 1/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.39
CIT O14578 1/20 0.39
MAP3K7 O43318 1/20 0.39
RIPK2 O43353 1/20 0.39
STK10 O94804 1/20 0.39
MAP4K4 O95819 1/20 0.39
ABL1 P00519 1/20 0.39
EGFR P00533 1/20 0.39
RAF1 P04049 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
CSF1R P07333 1/20 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
SCHEMBL428190 0.87 KDR (0.56) KDRAURKARPS6KB1ABCB1AURKB
SCHEMBL6105482 0.83 KDR (0.57) KDRABCB1
SCHEMBL3142954 0.83 KDR (0.52) KDRABCB1CITMAP3K7RIPK2
SCHEMBL3149979 0.83 KDR (0.52) KDRABCB1CITMAP3K7RIPK2
SCHEMBL447437 0.81 KDR (0.51) KDRAURKARPS6KB1ABCB1AURKB
SCHEMBL3144783 0.78 KDR (0.52) KDRABCB1RETMAP3K20RIPK3
SCHEMBL428281 0.78 MAPT (0.65) KDRAURKARPS6KB1AURKBPOLB
SCHEMBL3145965 0.76 KDR (0.45) KDRABCB1RETKITBRAF
SCHEMBL6224138 0.74 KDR (0.51) KDRABCB1CITMAP3K7RIPK2
SCHEMBL428215 0.74 KDR (0.56) KDRAURKARPS6KB1ABCB1AURKB

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 11 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
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 15/4885AURKA 2147/4885RPS6KB1 4382/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC KDR 15/4885AURKA 2147/4885RPS6KB1 4382/4885

“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.