SCHEMBL2062282

SCHEMBL2062282

CCC1C(=O)N(CC)CCc2cc(N)c(OC)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.49
KLK7 P49862 1/20 0.40
DPP4 P27487 2/20 0.39
CA7 P43166 1/20 0.39
KCNN2 Q9H2S1 4/20 0.38
KCNN3 Q9UGI6 4/20 0.38
KCNN1 Q92952 2/20 0.38
MAOA P21397 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
TRPV1 Q8NER1 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ABCB11 O95342 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 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
SCHEMBL2061949 0.82 BRD4 (0.46) BRD4CA7CA1CA2CA9
SCHEMBL2061129 0.77 HTR2C (0.45) HTR1AADRA2AHTR2B
SCHEMBL27580531 0.76 POLB (0.37) CA7MAOAALDH1A1POLBHTR2B
SCHEMBL2060527 0.75 GAA (0.54) CA7MAOASMN1; SMN2POLBHTR1A
SCHEMBL2061786 0.72 PARP1 (0.36) SMN1; SMN2KDM4EALDH1A1MAPTHPGD
SCHEMBL2060786 0.69 ABCB1 (0.50) CA7MAOAKDM4EALDH1A1MAPT
SCHEMBL18759956 0.68 CYP3A4 (0.47) SMN1; SMN2
SCHEMBL3439485 0.67 MAOB (0.49) CA7MAOASMN1; SMN2KDM4EPOLB
SCHEMBL22864687 0.66 ABCB1 (0.57) MAOAKDM4EALDH1A1MAPTTSHR
SCHEMBL2571297 0.65 MAOB (0.65) CA7MAOASMN1; SMN2

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 BRD4 863/4885KLK7 4766/4885DPP4 71/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET BRD4 863/4885KLK7 4766/4885DPP4 71/4885

“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.