SCHEMBL2061017

SCHEMBL2061017

COc1cc2c(cc1N)CCCN(C)C2=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
S100B P04271 1/20 0.42
HTR1A P08908 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
MAP4K1 Q92918 1/20 0.39
LRRK2 Q5S007 2/20 0.39
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
JAK2 O60674 1/20 0.38
TSHR P16473 1/20 0.38
GRM5 P41594 1/20 0.37
HPGD P15428 2/20 0.37
S1PR2 O95136 1/20 0.37
CA2 P00918 1/20 0.36
CA9 Q16790 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
SCHEMBL20214033 0.94 MEN1 (0.64) MEN1KMT2AS100BHTR1ADRD4
SCHEMBL24869723 0.85 MEN1 (0.77) MEN1KMT2AS100BSMN1; SMN2GAA
SCHEMBL30875685 0.85 MEN1 (0.77) MEN1KMT2AS100BSMN1; SMN2GAA
SCHEMBL14993580 0.82 MEN1 (0.54) MEN1KMT2AS100BSMN1; SMN2GAA
SCHEMBL2062118 0.79 KMT2A (0.58) MEN1KMT2AHTR1ADRD4DRD3
SCHEMBL11923834 0.79 MEN1 (1.00) MEN1KMT2ASMN1; SMN2GAALRRK2
SCHEMBL30883376 0.79 MEN1 (1.00) MEN1KMT2ASMN1; SMN2GAALRRK2
SCHEMBL18830560 0.77 HSD17B1 (0.49) MEN1KMT2AS100BGAAMAPK1
SCHEMBL18759881 0.76 KMT2A (0.40) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL29989787 0.76 MEN1 (0.54) MEN1KMT2AS100BSMN1; SMN2GAA

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 MEN1 484/4885KMT2A 501/4885S100B 4267/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET MEN1 484/4885KMT2A 501/4885S100B 4267/4885

“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.