SCHEMBL448495

SCHEMBL448495

NS(=O)(=O)c1ccc(CCNC(=O)c2cccnc2NCc2ccncc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.56
CA1 P00915 4/20 0.56
CA5A P35218 1/20 0.56
CA7 P43166 1/20 0.56
CA5B Q9Y2D0 1/20 0.56
CA9 Q16790 3/20 0.55
KDR P35968 5/20 0.55
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 3/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.52
CA12 O43570 1/20 0.51
POLB P06746 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
SCHEMBL444944 0.90 KDR (0.55) KDRKMT2AALDH1A1LMNAGAA
SCHEMBL446540 0.89 KDR (0.62) KDRKMT2AALDH1A1LMNA
SCHEMBL446331 0.86 KDR (0.60) KDRKMT2AALDH1A1LMNA
SCHEMBL448651 0.85 KDR (0.71) KDRKMT2AALDH1A1LMNA
SCHEMBL446000 0.85 KDR (0.59) KDRKMT2AALDH1A1GAA
SCHEMBL446977 0.85 KDR (0.71) KDRKMT2AALDH1A1
SCHEMBL448129 0.85 KDR (0.59) KDRKMT2AALDH1A1LMNA
SCHEMBL445514 0.82 KDR (0.59) KDRKMT2AALDH1A1
SCHEMBL449175 0.82 KMT2A (0.59) KDRKMT2AALDH1A1LMNA
SCHEMBL445539 0.82 KDR (0.56) KDRKMT2AALDH1A1LMNA

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 16 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-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
EP-2311808-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
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 CA2 3902/4885CA1 4610/4885CA5A 691/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO CA2 3998/4885CA1 4699/4885CA5A 515/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO CA2 4413/4885CA1 4818/4885CA5A 890/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC CA2 3902/4885CA1 4610/4885CA5A 691/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO CA2 4413/4885CA1 4818/4885CA5A 890/4885
US-20060040956-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO CA2 3998/4885CA1 4699/4885CA5A 515/4885

“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.