SCHEMBL10274640

SCHEMBL10274640

Nc1ccc2c(c1)CCCC(=O)N2I

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 2/20 0.49
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
HSD17B10 Q99714 3/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
BRD4 O60885 1/20 0.38
POLB P06746 2/20 0.37
APEX1 P27695 1/20 0.37
CASP6 P55212 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 4/20 0.36
MAPK1 P28482 1/20 0.36
AVPR2 P30518 1/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34

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
SCHEMBL520474 0.80 ATAD2 (0.53) ATAD2PDK1PDK2PDK3PDK4
SCHEMBL2061861 0.80 ATAD2 (0.49) ATAD2PDK1PDK2PDK3PDK4
SCHEMBL23346736 0.74 PDK1 (0.46) ATAD2PDK1PDK2PDK3PDK4
SCHEMBL2676461 0.72 ATAD2 (0.55) ATAD2PDK1PDK2PDK3PDK4
SCHEMBL2061080 0.71 ATAD2 (0.60) ATAD2PDK1PDK2PDK3PDK4
SCHEMBL2674744 0.71 ATAD2 (0.57) ATAD2KMT2AMAPK1MAPTALDH1A1
SCHEMBL2676018 0.71 ATAD2 (0.53) ATAD2POLBKMT2AMAPTALDH1A1
SCHEMBL2062210 0.70 ATAD2 (0.44) ATAD2HSD17B10CASP1CASP7BRD4
SCHEMBL2063005 0.70 BRD4 (0.42) ATAD2HSD17B10CASP1CASP7BRD4
SCHEMBL2061713 0.69 ATAD2 (0.54) ATAD2PDK1PDK2PDK3PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ATAD2 3694/4885PDK1 585/4885PDK2 2317/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET ATAD2 3694/4885PDK1 585/4885PDK2 2317/4885

“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.