SCHEMBL884828

SCHEMBL884828

COc1cc(N2CCOCC2)ccc1C1(N)C=CN=C(N)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
THRB P10828 2/20 0.43
POLB P06746 1/20 0.43
CHEK1 O14757 3/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PIK3CA P42336 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
INSR P06213 1/20 0.39
ALK Q9UM73 1/20 0.39
FYN P06241 1/20 0.39
JAK2 O60674 1/20 0.39
HIF1A Q16665 1/20 0.38

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
SCHEMBL2944050 0.88 SIRT6 (0.43) MEN1KMT2AALDH1A1CHEK1MAPT
SCHEMBL2911025 0.79 MAPT (0.40) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL2911795 0.78 AGXT (0.43) MAPTJAK2LGMNLRRK2FLT3
SCHEMBL884825 0.77 ALDH1A1 (0.45) MEN1KMT2AALDH1A1HPGDTHRB
SCHEMBL2944157 0.75 SIRT6 (0.56) ALDH1A1MAPT
SCHEMBL5051457 0.74 ALDH1A1 (0.46) MEN1KMT2AALDH1A1HPGDTHRB
SCHEMBL223337 0.71 LGMN (0.61) MEN1KMT2AALDH1A1HPGDTHRB
Hydrochloric Acid SCHEMBL3402782 0.70 LGMN (0.59) MEN1KMT2AALDH1A1HPGDTHRB
Hydrochloric Acid SCHEMBL375344 0.70 LGMN (0.59) MEN1KMT2AALDH1A1HPGDTHRB
SCHEMBL19500869 0.70 HIF1A (0.62) MEN1KMT2AALDH1A1HPGDTHRB

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 13 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
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 MEN1 484/4885KMT2A 501/4885ALDH1A1 77/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET MEN1 484/4885KMT2A 501/4885ALDH1A1 77/4885

“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.