SCHEMBL2062287

SCHEMBL2062287

COc1cccc(CN(CC(=O)O)Cc2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.62
CAMKK2 Q96RR4 1/20 0.62
MEP1B Q16820 2/20 0.62
TAS2R14 Q9NYV8 3/20 0.55
MEP1A Q16819 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
PPARG P37231 2/20 0.54
PPARA Q07869 2/20 0.54
CYP1A2 P05177 1/20 0.54
ALDH1A1 P00352 2/20 0.53
NR1H3 Q13133 1/20 0.50
TSPO P30536 1/20 0.50
BCHE P06276 1/20 0.50
PTGES O14684 1/20 0.50
ALOX5 P09917 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MAOB P27338 1/20 0.49
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49

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
SCHEMBL8423493 0.90 CALM1 (0.64) CALM1CAMKK2MEP1BTAS2R14MEP1A
SCHEMBL6716308 0.85 MEP1B (0.59) CALM1CAMKK2MEP1BTAS2R14MEP1A
SCHEMBL2061494 0.85 MEP1B (0.56) CALM1CAMKK2MEP1BTAS2R14MEP1A
SCHEMBL29234302 0.81 TSHR (0.57) CALM1CAMKK2MEP1BTAS2R14TSHR
SCHEMBL29469525 0.81 TSHR (0.57) CALM1CAMKK2MEP1BTAS2R14TSHR
SCHEMBL13699118 0.81 TSHR (0.79) CALM1CAMKK2MEP1BTAS2R14TSHR
SCHEMBL19478275 0.81 MEP1B (0.83) MEP1BMEP1AALDH1A1
SCHEMBL9830799 0.81 MEP1B (0.49) CALM1CAMKK2MEP1BPPARGPPARA
SCHEMBL186172 0.80 MEP1B (0.50) MEP1BMEP1APPARGPPARAALDH1A1
SCHEMBL10232375 0.80 TAS2R14 (0.52) MEP1BTAS2R14MEP1APPARGPPARA

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 14 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-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
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-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-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
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 CALM1 1446/4885CAMKK2 1719/4885MEP1B 96/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET CALM1 1446/4885CAMKK2 1719/4885MEP1B 96/4885

“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.