SCHEMBL2061237

SCHEMBL2061237

CNC(=O)N1CCc2cc(N)c(OC)cc2CC1C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 3/20 0.40
BRD4 O60885 1/20 0.39
MEN1 O00255 2/20 0.39
TRPV1 Q8NER1 1/20 0.37
THRB P10828 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
SLC6A4 P31645 1/20 0.37
GPR183 P32249 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
SCHEMBL2060763 0.73 ALDH1A1 (0.51) SMN1; SMN2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL2571297 0.70 MAOB (0.65) SMN1; SMN2KMT2AMEN1MAOAMAOB
SCHEMBL519943 0.69 NR1H2 (0.54) SMN1; SMN2NPC1KMT2AMEN1KDM4E
SCHEMBL3439485 0.68 MAOB (0.49) SMN1; SMN2POLBKMT2AMEN1KDM4E
SCHEMBL18759889 0.68 SMN1; SMN2 (0.57) SMN1; SMN2NPC1POLBKMT2AMEN1
SCHEMBL18759969 0.68 SMN1; SMN2 (0.57) SMN1; SMN2NPC1POLBKMT2AMEN1
SCHEMBL25340224 0.68 RAD52 (0.39) POLBMAOAMAOBSLC6A4
SCHEMBL17197305 0.68 MAPK1 (0.54) NPC1KMT2AMEN1THRBALDH1A1
SCHEMBL17197259 0.68 MAPK1 (0.54) NPC1KMT2AMEN1THRBALDH1A1
SCHEMBL520329 0.68 L3MBTL1 (0.47) KMT2AMEN1ALDH1A1KDM4E

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 7 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
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2009-09-03 US 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 MTNR1B 1331/4885SMN1; SMN2 2836/4885NPC1 3414/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET MTNR1B 1331/4885SMN1; SMN2 2836/4885NPC1 3414/4885

“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.