SCHEMBL2060980

SCHEMBL2060980

C#CCN(C)C(=O)c1ccccc1N

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 7/20 0.42
HSD17B10 Q99714 3/20 0.42
HPGD P15428 4/20 0.42
CFTR P13569 1/20 0.42
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.38
TSPO P30536 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL2228815 0.82 KMT2A (0.59) HPGDKMT2ATSHRMEN1
SCHEMBL11225239 0.81 KMT2A (0.40) ALDH1A1HPGDKMT2AMAPTTSHR
SCHEMBL3628079 0.80 KDM4E (0.53) KDM4EALDH1A1HSD17B10HPGDCFTR
SCHEMBL4572128 0.78 KMT2A (0.38) ALDH1A1HPGDKMT2ATSHRTSPO
SCHEMBL6371222 0.77 TP53 (0.53) KDM4EALDH1A1HSD17B10HPGDCFTR
SCHEMBL27986063 0.77 KDM4E (0.50) KDM4EALDH1A1HSD17B10HPGDCFTR
SCHEMBL15453504 0.76 MAOA (0.51) ALDH1A1HPGDKMT2ATSHRMEN1
SCHEMBL14454233 0.75 KDM4E (0.49) KDM4EALDH1A1HSD17B10HPGDCFTR
SCHEMBL2061493 0.75 KDM4E (0.45) KDM4EALDH1A1HSD17B10HPGDCFTR
SCHEMBL538290 0.75 SMN1; SMN2 (0.55) KDM4EALDH1A1HSD17B10HPGDCFTR

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 11 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
CN-101535276-B 2, 4-diaminopyrimidine fused bicyclic derivatives as ALK and c-MET inhibitors CEPHALON INC 2013-08-28 CN 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
CN-101535276-A 2, 4-diaminopyrimidine fused bicyclic derivatives as ALK and c-MET inhibitors CEPHALON INC (US) 2009-09-16 CN 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 KDM4E 729/4885ALDH1A1 77/4885HSD17B10 4144/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET KDM4E 729/4885ALDH1A1 77/4885HSD17B10 4144/4885

“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.