SCHEMBL2061722

SCHEMBL2061722

O=C1NC[CH]Nc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.45
▸ DYRK1B Q9Y463 2/20 0.45
▸ PDGFRA P16234 1/20 0.45
▸ FER P16591 1/20 0.45
▸ LTK P29376 1/20 0.45
▸ CDK8 P49336 1/20 0.45
▸ ACVR1 Q04771 1/20 0.45
▸ CA12 O43570 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ PARP1 P09874 2/20 0.41
▸ PARP10 Q53GL7 2/20 0.41
▸ PARP11 Q9NR21 2/20 0.41
▸ PDE7A Q13946 1/20 0.41
▸ PDE7B Q9NP56 1/20 0.41
▸ PDPK1 O15530 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ TNKS2 Q9H2K2 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39

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
SCHEMBL5567 0.73 ALOX15 (0.33) KDM4EALDH1A1HSD17B10KMT2A
SCHEMBL700485 0.72 PARP10 (0.55) LRRK2DYRK1BPDGFRAFERLTK
SCHEMBL29380714 0.72 LRRK2 (0.50) LRRK2DYRK1BPDGFRAFERLTK
SCHEMBL106149 0.72 LRRK2 (0.50) LRRK2DYRK1BPDGFRAFERLTK
Hydrochloric Acid SCHEMBL30124058 0.71 PARP10 (0.53) LRRK2DYRK1BPDGFRAFERLTK
SCHEMBL168935 0.70 PDGFRA (0.52) LRRK2DYRK1BPDGFRAFERLTK
SCHEMBL2449133 0.68 LRRK2 (0.55) LRRK2DYRK1BPDGFRAFERLTK
SCHEMBL30336371 0.68 LRRK2 (0.55) LRRK2DYRK1BPDGFRAFERLTK
SCHEMBL366728 0.66 — —
SCHEMBL2420711 0.66 LRRK2 (0.90) LRRK2DYRK1BPDGFRAFERLTK

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 LRRK2 885/4885DYRK1B 1019/4885PDGFRA 18/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET LRRK2 885/4885DYRK1B 1019/4885PDGFRA 18/4885

“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.

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