SCHEMBL2061797

SCHEMBL2061797

COc1ccc2c(c1)CNCC(=O)N2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.65
PDE3A Q14432 3/20 0.65
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
ALDH1A1 P00352 2/20 0.49
PKM P14618 2/20 0.46
SRC P12931 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
KCNH2 Q12809 1/20 0.44
RYR2 Q92736 1/20 0.44
GAA P10253 2/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
SNCA P37840 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41

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
SCHEMBL31040124 0.81 PDE3B (0.66) PDE3BPDE3AMAOAMAOBALDH1A1
SCHEMBL20214 0.81 PDE3B (0.66) PDE3BPDE3AMAOAMAOBALDH1A1
SCHEMBL1764375 0.80 PKM (0.65) PDE3BPDE3AMAOAMAOBALDH1A1
SCHEMBL29036203 0.78 PDE3B (0.57) PDE3BPDE3AMAOAMAOBALDH1A1
SCHEMBL28978962 0.77 PDE3B (0.56) PDE3BPDE3AMAOAMAOBALDH1A1
SCHEMBL3186685 0.77 PDE3B (0.56) PDE3BPDE3AMAOAMAOBALDH1A1
SCHEMBL3350612 0.77 PDE3B (0.55) PDE3BPDE3AMAOAMAOBALDH1A1
SCHEMBL30724416 0.77 PDE3B (0.55) PDE3BPDE3AMAOAMAOBALDH1A1
SCHEMBL17957539 0.76 CRBN (0.54) ALDH1A1GAACA12CA1CA2
SCHEMBL330398 0.75 KCNH2 (0.54) PDE3BPDE3AKCNH2RYR2METAP1

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 PDE3B 2154/4885PDE3A 2820/4885MAOA 2937/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET PDE3B 2154/4885PDE3A 2820/4885MAOA 2937/4885

“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.