SCHEMBL2061833

SCHEMBL2061833

CNC(=O)[C@H]1CCC[C@H]1Nc1nc(Cl)ncc1Cl

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.49
AURKB Q96GD4 3/20 0.49
INSR P06213 4/20 0.39
ALK Q9UM73 4/20 0.39
GRM4 Q14833 1/20 0.39
ADORA3 P0DMS8 5/20 0.37
ADORA1 P30542 4/20 0.37
ADORA2A P29274 3/20 0.37
KMT2A Q03164 1/20 0.36
MAPK3 P27361 2/20 0.36
STK17B O94768 1/20 0.35
STK17A Q9UEE5 1/20 0.35
SYK P43405 1/20 0.34
CDK7 P50613 1/20 0.34
CDK9 P50750 1/20 0.34

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
SCHEMBL2061836 1.00 KDR (0.49) KDRAURKBINSRALKGRM4
SCHEMBL2061834 1.00 KDR (0.49) KDRAURKBINSRALKGRM4
SCHEMBL2061164 0.97 KDR (0.49) KDRAURKBINSRALKGRM4
SCHEMBL2061162 0.97 KDR (0.49) KDRAURKBINSRALKGRM4
SCHEMBL2061160 0.97 KDR (0.49) KDRAURKBINSRALKGRM4
SCHEMBL3574419 0.88 AURKB (0.39) KDRAURKBGRM4ADORA3ADORA1
SCHEMBL3577203 0.88 KDR (0.48) KDRAURKBINSRALKKMT2A
SCHEMBL3577207 0.86 KDR (0.46) KDRAURKBINSRALKGRM4
SCHEMBL3564725 0.86 KDR (0.49) KDRAURKBINSRALKGRM4
SCHEMBL2061141 0.85 KDR (0.62) KDRAURKBINSRALKKMT2A

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 9 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
EP-2222647-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS Cephalon, Inc. (US) 2010-09-01 EP 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 (2 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 KDR 22/4885AURKB 318/4885INSR 241/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET KDR 22/4885AURKB 318/4885INSR 241/4885

“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.