SCHEMBL447727

SCHEMBL447727

NC(=O)c1ccc(-c2ccc(F)nc2NCc2ccncc2)c(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 8/20 0.48
KDR P35968 7/20 0.40
FLT1 P17948 5/20 0.40
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
AURKB Q96GD4 1/20 0.39
RET P07949 2/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
USP1 O94782 1/20 0.38
WDR48 Q8TAF3 1/20 0.38

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
SCHEMBL6106240 0.78 VNN1 (0.49) VNN1KDRAURKARPS6KB1USP1
SCHEMBL445351 0.78 AURKA (0.38) VNN1AURKARPS6KB1HDAC1HDAC6
SCHEMBL6104003 0.78 CYP1A2 (0.49) VNN1KDRAURKARPS6KB1USP1
SCHEMBL448014 0.77 MEN1 (0.42) VNN1KDRRETHDAC1
SCHEMBL6105748 0.76 VNN1 (0.46) VNN1KDRAURKARPS6KB1AURKB
SCHEMBL6107998 0.76 VNN1 (0.48) VNN1KDRAURKARPS6KB1AURKB
SCHEMBL6106129 0.75 VNN1 (0.50) VNN1AURKARPS6KB1AURKB
SCHEMBL449066 0.73 HDAC6 (0.45) VNN1KDRFLT1AURKARPS6KB1
SCHEMBL448286 0.73 CYP3A4 (0.41) VNN1KDRRPS6KB1HDAC1HDAC8
SCHEMBL6104170 0.72 CDC7 (0.43) VNN1RPS6KB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060040956-A1 Substituted alkylamine derivatives and methods of use CHEN GUOQING 2006-02-23 US claimed
US-6995162-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2006-02-07 US claimed
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 VNN1 1373/4885KDR 15/4885FLT1 9/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO VNN1 1132/4885KDR 13/4885FLT1 15/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO VNN1 1287/4885KDR 8/4885FLT1 11/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC VNN1 1373/4885KDR 15/4885FLT1 9/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO VNN1 1287/4885KDR 8/4885FLT1 11/4885
US-20060040956-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO VNN1 1132/4885KDR 13/4885FLT1 15/4885

“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.