SCHEMBL1937546

SCHEMBL1937546

Clc1ncc(Cl)c(NC2CCCCC2)n1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.71
AXL P30530 1/20 0.57
CTSC P53634 1/20 0.43
MEN1 O00255 1/20 0.42
PDE4A P27815 1/20 0.42
MAPK3 P27361 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
ADORA3 P0DMS8 3/20 0.41
ADORA1 P30542 3/20 0.41
ADORA2A P29274 2/20 0.41
HPGDS O60760 1/20 0.41
INSR P06213 1/20 0.40
ALK Q9UM73 1/20 0.40
TP53 P04637 3/20 0.40
MAPT P10636 2/20 0.40
LATS1 O95835 1/20 0.40
PDE10A Q9Y233 1/20 0.40

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
SCHEMBL1934159 0.98 KMT2A (0.69) KMT2AAXLCTSCMEN1PDE4A
SCHEMBL993784 0.95 KMT2A (0.64) KMT2AAXLCTSCMAPK3KDM4E
SCHEMBL844926 0.91 KMT2A (0.58) KMT2AAXLCTSCADORA3ADORA1
SCHEMBL2302601 0.83 KMT2A (0.68) KMT2AAXLMEN1PDE4AKDM4E
SCHEMBL2305520 0.83 KMT2A (0.68) KMT2AAXLMEN1PDE4AKDM4E
SCHEMBL24799800 0.83 KMT2A (0.68) KMT2AAXLMEN1PDE4AKDM4E
SCHEMBL12425243 0.83 KMT2A (0.68) KMT2AAXLMEN1PDE4AKDM4E
SCHEMBL19244047 0.83 KMT2A (0.68) KMT2AAXLMEN1PDE4AKDM4E
SCHEMBL21593571 0.83 KMT2A (0.68) KMT2AAXLMEN1PDE4ATP53
SCHEMBL12069200 0.83 KMT2A (0.68) KMT2AAXLMEN1PDE4AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 EP disclosed
EP-2222647-B1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2015-08-05 EP disclosed
EP-2684874-A1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors Cephalon, Inc. (US) 2014-01-15 EP disclosed
US-8552186-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-MET inhibitors CEPHALON, INC. (US) 2013-10-08 US disclosed
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors CEPHALON, INC. (US) 2012-06-28 US disclosed
US-8148391-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-Met inhibitors CEPHALON, INC. (US) 2012-04-03 US disclosed
US-20110230478-A1 4-Alkyl-substituted diaminopyrimidines Bayer ScienceCrop AG (DE) 2011-09-22 US disclosed
EP-2330904-A2 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES Bayer CropScience AG (DE) 2011-06-15 EP disclosed
EP-2222647-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS Cephalon, Inc. (US) 2010-09-01 EP disclosed
WO-2010025863-A2 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO disclosed
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2009-09-03 US disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 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 (3 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-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS ALK, MET, RET KMT2A 501/4885AXL 326/4885CTSC 853/4885
US-20110230478-A1 4-Alkyl-substituted diaminopyrimidines DPM1, DPYD, POLR1C KMT2A 1758/4885AXL 786/4885CTSC 2436/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET KMT2A 501/4885AXL 326/4885CTSC 853/4885

“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.