SCHEMBL448858

SCHEMBL448858

O=CN(c1ccc(C(F)(F)F)cc1)c1cccnc1NCc1ccncc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.53
FLT1 P17948 4/20 0.42
VNN1 O95497 2/20 0.40
NAMPT P43490 1/20 0.39
ASPH Q12797 1/20 0.38
KDM8 Q8N371 1/20 0.38
GSK3B P49841 1/20 0.38
EPHX2 P34913 1/20 0.37

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
Hydrochloric Acid SCHEMBL447077 0.99 KDR (0.53) KDRFLT1VNN1NAMPTASPH
SCHEMBL6106200 0.91 KDR (0.44) KDRVNN1ASPHKDM8EPHX2
SCHEMBL446999 0.91 KDR (0.47) KDRFLT1
SCHEMBL6104854 0.87 MAPK14 (0.46) KDRASPHKDM8EPHX2
SCHEMBL448641 0.83 KDR (0.55) KDRFLT1
SCHEMBL6104000 0.82 VNN1 (0.43) KDRVNN1
SCHEMBL6106239 0.80 KDR (0.41) KDRFLT1VNN1
SCHEMBL6105745 0.79 KDR (0.41) KDRFLT1VNN1
SCHEMBL6107996 0.79 ALDH1A1 (0.44) KDR
SCHEMBL6102919 0.79 CACNA1B (0.37) KDR

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 10 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
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 15/4885FLT1 9/4885VNN1 1373/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO KDR 8/4885FLT1 11/4885VNN1 1287/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC KDR 15/4885FLT1 9/4885VNN1 1373/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO KDR 8/4885FLT1 11/4885VNN1 1287/4885
US-20060040956-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO KDR 13/4885FLT1 15/4885VNN1 1132/4885

“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.