SCHEMBL2061306

SCHEMBL2061306

CCN1CCN(CC)c2cc(Nc3ncc(Cl)c(NC4C5C=CC(C5)C4C(N)=O)n3)ccc2C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 9/20 0.62
MET P08581 3/20 0.62
KDR P35968 12/20 0.61
AURKB Q96GD4 11/20 0.61
INSR P06213 6/20 0.61
CDC7 O00311 1/20 0.53
PLK4 O00444 1/20 0.53
CHEK1 O14757 1/20 0.53
AURKA O14965 1/20 0.53
DCLK1 O15075 1/20 0.53
PDPK1 O15530 1/20 0.53
DAPK3 O43293 1/20 0.53
JAK2 O60674 1/20 0.53
ROCK2 O75116 1/20 0.53
PRKD3 O94806 1/20 0.53
MAP4K4 O95819 1/20 0.53
PAK4 O96013 1/20 0.53
CHEK2 O96017 1/20 0.53
ABL1 P00519 1/20 0.53
EGFR P00533 1/20 0.53

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
SCHEMBL2060481 1.00 ALK (0.62) ALKMETKDRAURKBINSR
SCHEMBL886262 1.00 ALK (0.62) ALKMETKDRAURKBINSR
SCHEMBL18832727 1.00 ALK (0.62) ALKMETKDRAURKBINSR
SCHEMBL18832758 0.89 ALK (0.49) ALKMETKDRAURKBINSR
SCHEMBL16966140 0.89 ALK (0.49) ALKMETKDRAURKBINSR
SCHEMBL886571 0.88 KDR (0.58) ALKMETKDRAURKBINSR
SCHEMBL886570 0.88 KDR (0.58) ALKMETKDRAURKBINSR
SCHEMBL2062008 0.84 KDR (0.60) ALKMETKDRAURKBINSR
SCHEMBL16966217 0.82 ALK (0.47) ALKMETKDRAURKBINSR
SCHEMBL884722 0.81 KDR (0.66) ALKMETKDRAURKBINSR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALK 1/4885MET 2/4885KDR 22/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET ALK 1/4885MET 2/4885KDR 22/4885

“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.