SCHEMBL885993

SCHEMBL885993

COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3OC)n1)CCN(CC(=O)N(C)C)CC2

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 18/20 0.79
INSR P06213 17/20 0.79
CYP3A4 P08684 1/20 0.79
CYP2C9 P11712 1/20 0.79
CYP2C19 P33261 1/20 0.79
KCNH2 Q12809 1/20 0.79
IGF1R P08069 10/20 0.70
EGFR P00533 3/20 0.64
MET P08581 2/20 0.64
CHEK1 O14757 1/20 0.63
AURKA O14965 1/20 0.63
NUAK1 O60285 1/20 0.63
JAK2 O60674 1/20 0.63
STK10 O94804 1/20 0.63
PRKD3 O94806 1/20 0.63
SLC34A2 O95436 1/20 0.63
CHEK2 O96017 1/20 0.63
ABL1 P00519 1/20 0.63
CD74 P04233 1/20 0.63
ERBB2 P04626 1/20 0.63

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
SCHEMBL886469 0.97 ALK (0.79) ALKINSRCYP3A4CYP2C9CYP2C19
SCHEMBL2943293 0.96 ALK (0.73) ALKINSRCYP3A4CYP2C9CYP2C19
SCHEMBL2062478 0.94 ALK (0.86) ALKINSRCYP3A4CYP2C9CYP2C19
SCHEMBL886567 0.89 ALK (0.78) ALKINSRCYP3A4CYP2C9CYP2C19
SCHEMBL886174 0.88 ALK (1.00) ALKINSRCYP3A4CYP2C9CYP2C19
SCHEMBL2943295 0.88 ALK (0.69) ALKINSRCYP3A4CYP2C9CYP2C19
SCHEMBL2060924 0.86 ALK (0.73) ALKINSRCYP3A4CYP2C9CYP2C19
SCHEMBL886288 0.85 ALK (0.73) ALKINSRCYP3A4CYP2C9CYP2C19
SCHEMBL886716 0.85 ALK (1.00) ALKINSRCYP3A4CYP2C9CYP2C19
SCHEMBL2060766 0.84 ALK (0.86) ALKINSRCYP3A4CYP2C9CYP2C19

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 12 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 claimed
EP-2222647-B1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2015-08-05 EP claimed
EP-2222647-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS Cephalon, Inc. (US) 2010-09-01 EP claimed
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2009-09-03 US claimed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 WO claimed
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 ALK 1/4885INSR 241/4885CYP3A4 1129/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET ALK 1/4885INSR 241/4885CYP3A4 1129/4885

“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.