SCHEMBL445017

SCHEMBL445017

c1ccc(Nc2c[nH]cn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
RAB9A P51151 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALPG P10696 1/20 0.48
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 3/20 0.44
CDK2 P24941 3/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 2/20 0.44
PDGFRB P09619 2/20 0.44
PDGFRA P16234 2/20 0.44
NPC1 O15118 2/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
CHEK1 O14757 1/20 0.44
IKBKB O14920 1/20 0.44
AURKA O14965 1/20 0.44

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
SCHEMBL16881691 0.80 MAPT (0.42) MAPTMEN1KMT2ARAB9AKDM4E
SCHEMBL8842950 0.78 EGFR (0.44) AURKA
SCHEMBL28193349 0.73 CDK2 (0.55) CDK2CDK1ROCK1
SCHEMBL5074316 0.73 MAPK10 (0.51) MAPTMEN1KMT2ARAB9ATDP1
SCHEMBL224659 0.71 FABP1 (0.55) MEN1KMT2AKDM4EALDH1A1CDK2
SCHEMBL631856 0.70 MAOA (0.49) MAPTTDP1ALDH1A1HSD17B10TSHR
SCHEMBL3944985 0.69 KDM4E (0.35) MAPTMEN1KMT2ARAB9ATDP1
SCHEMBL1378618 0.68 KMT2A (0.56) MEN1KMT2ARAB9AKDM4ECDK2
SCHEMBL29582475 0.67 MEN1 (0.64) MAPTMEN1KMT2ARAB9ATDP1
SCHEMBL414719 0.67 MEN1 (0.70) MAPTMEN1KMT2ARAB9ATDP1

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102504806-B Metal organic skeletal material for detecting nitrogen oxide based on paramagnetic metal center UNIV DALIAN TECH 2014-06-11 CN disclosed
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
CN-102504806-A Metal organic skeletal material for detecting nitrogen oxide based on paramagnetic metal center UNIV DALIAN TECH 2012-06-20 CN 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-2066619-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS Arete Therapeutics, INC. (US) 2009-06-10 EP disclosed
WO-2009046416-A1 ANILINOPYRIMIDINES AS JAK KINASE INHIBITORS TARGEGEN INC. (US) 2009-04-09 WO disclosed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 US disclosed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 WO 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
US-6043254-A ANTIPROLIFERATIVE AGENT; ENZYME INHIBITOR BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-03-28 US disclosed
US-5760041-A 4-aminoquinazoline EGFR Inhibitors AMERICAN CYANAMID COMPANY (US) 1998-06-02 US disclosed
EP-0787722-A1 Substituted quinazoline derivatives American Cyanamid Company (US) 1997-08-06 EP disclosed
EP-0081324-B1 SUBSTITUTED PHARMACOLOGICALLY ACITVE IMIDAZOLE DERIVATIVES AND THEIR PREPARATION AND USE Farmos Group Ltd. (FI) 1986-08-06 EP 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 (4 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 MAPT 4232/4885MEN1 846/4885KMT2A 960/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO MAPT 4734/4885MEN1 1464/4885KMT2A 1313/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO MAPT 4726/4885MEN1 1584/4885KMT2A 1046/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO MAPT 4726/4885MEN1 1584/4885KMT2A 1046/4885

“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.