SCHEMBL3661768

SCHEMBL3661768

[2H]C([2H])([2H])Oc1cc(N)c(C(=O)OC)cc1OC

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.83
GAA P10253 5/20 0.55
POLB P06746 3/20 0.53
ALDH1A1 P00352 10/20 0.47
HSD17B10 Q99714 6/20 0.47
HPGD P15428 5/20 0.47
MAPT P10636 3/20 0.47
GLA P06280 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
ATM Q13315 1/20 0.47
ABL1 P00519 1/20 0.46
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
CFTR P13569 3/20 0.44
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.42
MAPK1 P28482 1/20 0.42
USP2 O75604 1/20 0.42
CYP1A2 P05177 2/20 0.42

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
SCHEMBL372600 0.91 KDM4E (1.00) KDM4EGAAPOLBALDH1A1HSD17B10
SCHEMBL31408659 0.91 KDM4E (1.00) KDM4EGAAPOLBALDH1A1HSD17B10
SCHEMBL12604682 0.87 KDM4E (0.63) KDM4EGAAPOLBALDH1A1HSD17B10
SCHEMBL2900351 0.82 KDM4E (0.82) KDM4EGAAPOLBALDH1A1HSD17B10
SCHEMBL1781100 0.82 KDM4E (0.56) KDM4EGAAALDH1A1HSD17B10HPGD
SCHEMBL8102912 0.81 KDM4E (0.53) KDM4EGAAPOLBALDH1A1HSD17B10
SCHEMBL2189622 0.81 KDM4E (0.79) KDM4EGAAPOLBALDH1A1HSD17B10
SCHEMBL2857865 0.81 KDM4E (0.78) KDM4EGAAPOLBALDH1A1HSD17B10
SCHEMBL1012737 0.81 KDM4E (0.78) KDM4EGAAPOLBALDH1A1HSD17B10
SCHEMBL6383531 0.81 KDM4E (0.78) KDM4EGAAPOLBALDH1A1HSD17B10

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
US-9133137-B2 Derivatives of gefitinib CONCERT PHARMACEUTICALS, INC. (US) 2015-09-15 US disclosed
EP-2242493-B1 DERIVATIVES OF GEFITINIB CONCERT PHARMACEUTICALS INC (US) 2013-06-05 EP disclosed
US-20110059046-A1 DERIVATIVES OF GEFITINIB CONCERT PHARMACEUTICALS INC. (US) 2011-03-10 US disclosed
US-7855204-B2 Derivatives of gefitinib CONCERT PHARMACEUTICALS INC. (US) 2010-12-21 US disclosed
US-7855204-B2 Derivatives of gefitinib CONCERT PHARMACEUTICALS INC. (US) 2010-12-21 US disclosed
EP-2242493-A1 DERIVATIVES OF GEFITINIB Concert Pharmaceuticals Inc. (US) 2010-10-27 EP disclosed
WO-2009094216-A1 DERIVATIVES OF GEFITINIB CONCERT PHARMACEUTICALS INC. (US) 2009-07-30 WO disclosed
US-20090185999-A1 DERIVATIVES OF GEFITINIB CONCERT PHARMACEUTICALS INC. (US) 2009-07-23 US disclosed
US-20090185999-A1 DERIVATIVES OF GEFITINIB CONCERT PHARMACEUTICALS INC. (US) 2009-07-23 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-20090185999-A1 DERIVATIVES OF GEFITINIB ABL1, EGFR, ERBB2 KDM4E 3127/4885GAA 916/4885POLB 3426/4885
US-20110059046-A1 DERIVATIVES OF GEFITINIB ABL1, EGFR, ERBB2 KDM4E 3127/4885GAA 916/4885POLB 3426/4885

“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.