SCHEMBL2060960

SCHEMBL2060960

COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccc(N(C)C)cc3OC)n1)CCN(CCN1CCOCC1)CC2

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 17/20 0.73
INSR P06213 10/20 0.73
CYP3A4 P08684 1/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
KCNH2 Q12809 1/20 0.68
MAP4K1 Q92918 2/20 0.55
LRRK2 Q5S007 1/20 0.54

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
SCHEMBL2061740 0.89 ALK (0.91) ALKINSRCYP3A4CYP2C9CYP2C19
SCHEMBL886118 0.86 ALK (0.87) ALKINSRCYP3A4CYP2C9CYP2C19
SCHEMBL886487 0.85 ALK (0.70) ALKINSRCYP3A4CYP2C9CYP2C19
SCHEMBL886083 0.83 ALK (0.69) ALKINSRCYP3A4CYP2C9CYP2C19
SCHEMBL886174 0.81 ALK (1.00) ALKINSRCYP3A4CYP2C9CYP2C19
SCHEMBL886454 0.81 MAP4K1 (0.78) ALKINSRCYP3A4CYP2C9CYP2C19
SCHEMBL886399 0.81 ALK (0.79) ALKINSRCYP3A4CYP2C9CYP2C19
SCHEMBL2060801 0.80 ALK (0.85) ALKINSR
SCHEMBL886564 0.79 ALK (0.85) ALKINSRCYP3A4CYP2C9CYP2C19
SCHEMBL886471 0.79 ALK (0.82) 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 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 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.