SCHEMBL449066

SCHEMBL449066

NC(=O)c1ccc(-c2cccnc2NCc2ccc3ncccc3c2)c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.45
AR P10275 1/20 0.44
VNN1 O95497 2/20 0.42
RPS6KB1 P23443 2/20 0.42
PTK2 Q05397 5/20 0.41
KDR P35968 5/20 0.41
TRPM8 Q7Z2W7 1/20 0.39
FLT1 P17948 1/20 0.39
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
PDE5A O76074 1/20 0.38
HDAC3 O15379 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
SCHEMBL6106129 0.87 VNN1 (0.50) VNN1RPS6KB1PTK2AURKAAURKB
SCHEMBL6106240 0.86 VNN1 (0.49) VNN1RPS6KB1PTK2KDRAURKA
SCHEMBL6104003 0.86 CYP1A2 (0.49) VNN1RPS6KB1PTK2KDRAURKA
SCHEMBL6105748 0.85 VNN1 (0.46) VNN1RPS6KB1PTK2KDRAURKA
SCHEMBL6107998 0.85 VNN1 (0.48) VNN1RPS6KB1PTK2KDRAURKA
SCHEMBL6106120 0.84 PTK2 (0.47) VNN1RPS6KB1PTK2AURKAAURKB
SCHEMBL6103869 0.84 PTK2 (0.48) HDAC6VNN1RPS6KB1PTK2KDR
SCHEMBL6104556 0.84 PTK2 (0.48) VNN1RPS6KB1PTK2AURKAAURKB
SCHEMBL447324 0.81 RPS6KB1 (0.49) VNN1RPS6KB1PTK2KDRAURKA
SCHEMBL6104170 0.81 CDC7 (0.43) VNN1RPS6KB1PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1798230-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2007-06-20 EP claimed
US-20060040956-A1 Substituted alkylamine derivatives and methods of use CHEN GUOQING 2006-02-23 US claimed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 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-2311808-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2011-04-20 EP 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 HDAC6 1810/4885AR 1160/4885VNN1 1373/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO HDAC6 1426/4885AR 1212/4885VNN1 1132/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO HDAC6 1036/4885AR 805/4885VNN1 1287/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC HDAC6 1810/4885AR 1160/4885VNN1 1373/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO HDAC6 1036/4885AR 805/4885VNN1 1287/4885
US-20060040956-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO HDAC6 1426/4885AR 1212/4885VNN1 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.