SCHEMBL447153

SCHEMBL447153

O=C(Nc1ccc(C(F)(F)C(F)(F)F)c(CN2CCNCC2)c1)c1cccnc1NCc1ccncc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.57
ABCB1 P08183 2/20 0.52
RET P07949 2/20 0.51
MAP3K20 Q9NYL2 2/20 0.51
RIPK3 Q9Y572 2/20 0.51
FLT1 P17948 2/20 0.51
CIT O14578 1/20 0.51
MAP3K7 O43318 1/20 0.51
RIPK2 O43353 1/20 0.51
STK10 O94804 1/20 0.51
MAP4K4 O95819 1/20 0.51
ABL1 P00519 1/20 0.51
EGFR P00533 1/20 0.51
RAF1 P04049 1/20 0.51
LCK P06239 1/20 0.51
FYN P06241 1/20 0.51
CSF1R P07333 1/20 0.51
YES1 P07947 1/20 0.51
LYN P07948 1/20 0.51
HCK P08631 1/20 0.51

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
SCHEMBL447141 0.91 KDR (0.57) KDRABCB1RETMAP3K20RIPK3
SCHEMBL448163 0.86 KDR (0.54) KDRABCB1RETMAP3K20RIPK3
SCHEMBL4973435 0.85 MAPK14 (0.42) KDRMAP3K20MAP3K7MAP4K4ABL1
SCHEMBL5416882 0.84 MKNK1 (0.44) KDRABL1CSF1RKIT
SCHEMBL447281 0.82 KDR (0.73) KDRABCB1RETMAP3K20RIPK3
SCHEMBL444353 0.80 KDR (0.55) KDRABCB1RETMAP3K20RIPK3
Hydrochloric Acid SCHEMBL447165 0.80 KDR (0.54) KDRABCB1RETMAP3K20RIPK3
SCHEMBL3889283 0.80 KDR (0.53) KDRABL1PDGFRBPDGFRA
SCHEMBL3107865 0.79 KDR (0.83) KDRABCB1RETMAP3K20RIPK3
SCHEMBL3958505 0.79 PDPK1 (0.40) KDRABL1RAF1CSF1RKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2013-10-17 US disclosed
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 US disclosed
US-8058445-B2 Substituted pyridinecarboxamides for the treatment of cancer AMGEN INC. (US) 2011-11-15 US disclosed
EP-2311829-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2011-04-20 EP disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
EP-1798230-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2007-06-20 EP disclosed
US-20060040956-A1 Substituted alkylamine derivatives and methods of use CHEN GUOQING 2006-02-23 US disclosed
US-6995162-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2006-02-07 US disclosed
US-20050261313-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2005-11-24 US disclosed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 US disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US disclosed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 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 (6 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 15/4885ABCB1 237/4885RET 2278/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO KDR 13/4885ABCB1 223/4885RET 2801/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO KDR 8/4885ABCB1 153/4885RET 2733/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC KDR 15/4885ABCB1 237/4885RET 2278/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO KDR 8/4885ABCB1 153/4885RET 2733/4885
US-20060040956-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO KDR 13/4885ABCB1 223/4885RET 2801/4885

“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.