SCHEMBL445350

SCHEMBL445350

CN(C)CCOCCOc1cc(CNc2nc(F)ccc2N(C=O)c2cccc(C(F)(F)F)c2)ccn1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
AURKA O14965 2/20 0.33
RPS6KB1 P23443 2/20 0.33
CACNA1B Q00975 1/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 1/20 0.33
CDK2 P24941 1/20 0.32
CSNK1A1 P48729 1/20 0.32
CSNK1D P48730 1/20 0.32
CDK7 P50613 1/20 0.32
CCNH P51946 1/20 0.32
MNAT1 P51948 1/20 0.32
FLT1 P17948 1/20 0.31
KDR P35968 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
HTR6 P50406 1/20 0.30
SYK P43405 1/20 0.30
CDK1 P06493 1/20 0.30

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
SCHEMBL447726 0.80 KDR (0.44) RPS6KB1FLT1KDRSYK
SCHEMBL429581 0.79 RXFP1 (0.47) AURKAFLT1KDRRXFP1SYK
SCHEMBL445351 0.72 AURKA (0.38) AURKARPS6KB1
SCHEMBL14515269 0.71 RXFP1 (0.49) AURKACACNA1BFLT1KDRRXFP1
SCHEMBL6106124 0.69 KDM4E (0.40) KDM4EAURKARPS6KB1CDK2CSNK1A1
SCHEMBL6106116 0.69 KDM4E (0.48) KDM4EAURKARPS6KB1RXFP1
SCHEMBL6106239 0.69 KDR (0.41) KDM4EFLT1KDR
SCHEMBL449065 0.68 KDM4E (0.41) KDM4EAURKARPS6KB1CNR1CDK2
SCHEMBL6104000 0.68 VNN1 (0.43) KDM4ECDK2CSNK1A1CSNK1DCDK7
SCHEMBL6105745 0.68 KDR (0.41) KDM4EFLT1KDRRXFP1

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 18 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-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
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 EP disclosed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 US disclosed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 WO 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 KDM4E 922/4885AURKA 2147/4885RPS6KB1 4382/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO KDM4E 1133/4885AURKA 2856/4885RPS6KB1 4195/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO KDM4E 1013/4885AURKA 3085/4885RPS6KB1 3955/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC KDM4E 922/4885AURKA 2147/4885RPS6KB1 4382/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO KDM4E 1013/4885AURKA 3085/4885RPS6KB1 3955/4885
US-20060040956-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO KDM4E 1133/4885AURKA 2856/4885RPS6KB1 4195/4885

“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.