SCHEMBL2060640

SCHEMBL2060640

CS(=O)(=O)N1CCc2ccc(N)cc2CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.54
ESR1 P03372 2/20 0.54
HRH3 Q9Y5N1 3/20 0.49
CYP2D6 P10635 1/20 0.49
NR1H2 P55055 1/20 0.43
CA7 P43166 1/20 0.41
HSD17B3 P37058 1/20 0.39
MCHR1 Q99705 1/20 0.38
PDK2 Q15119 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ATAD2 Q6PL18 2/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL4137572 0.90 ESR1 (0.59) ESR2ESR1HRH3CYP2D6NR1H2
SCHEMBL30534601 0.90 ESR1 (0.59) ESR2ESR1HRH3CYP2D6NR1H2
SCHEMBL3185585 0.90 ESR2 (0.68) ESR2ESR1HRH3CYP2D6NR1H2
SCHEMBL15651977 0.79 CA7 (0.55) ESR2ESR1HRH3CYP2D6NR1H2
SCHEMBL29843388 0.79 CA7 (0.55) ESR2ESR1HRH3CYP2D6NR1H2
SCHEMBL15653335 0.79 ESR2 (0.50) ESR2ESR1NR1H2CA7HSD17B3
SCHEMBL22271453 0.79 PDK2 (0.54) ESR2ESR1HRH3CYP2D6NR1H2
SCHEMBL1949180 0.79 PKM (0.54)
SCHEMBL5334381 0.77 KMT2A (0.55) ESR2ESR1HRH3CYP2D6L3MBTL1
SCHEMBL216418 0.77 DRD1 (0.51) ESR2NR1H2

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 ESR2 1476/4885ESR1 1499/4885HRH3 703/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET ESR2 1476/4885ESR1 1499/4885HRH3 703/4885

“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.