SCHEMBL559831

SCHEMBL559831

COC(=O)c1ccc(C)c(OC)c1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.56
POLB P06746 2/20 0.56
GAA P10253 6/20 0.46
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 4/20 0.46
HPGD P15428 3/20 0.46
GLA P06280 3/20 0.46
MAPT P10636 2/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
ATM Q13315 1/20 0.46
CFTR P13569 2/20 0.46
ABL1 P00519 1/20 0.45
PTGER4 P35408 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
PDK2 Q15119 1/20 0.41

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
SCHEMBL27557955 0.86 KDM4E (0.41) KDM4EPOLBGAAALDH1A1HSD17B10
SCHEMBL13561978 0.86 KDM4E (0.51) KDM4EPOLBGAAALDH1A1HSD17B10
SCHEMBL1478662 0.84 ALDH1A1 (0.47) KDM4EPOLBALDH1A1HSD17B10HPGD
SCHEMBL18073572 0.84 KDM4E (0.41) KDM4EPOLBGAAALDH1A1HSD17B10
SCHEMBL857226 0.82 KDM4E (0.65) KDM4EPOLBGAAALDH1A1HSD17B10
SCHEMBL1355241 0.81 KDM4E (0.49) KDM4EPOLBGAAALDH1A1HSD17B10
SCHEMBL856900 0.81 KDM4E (0.58) KDM4EPOLBGAAALDH1A1HSD17B10
SCHEMBL28415472 0.80 ALDH1A1 (0.59) KDM4EPOLBGAAALDH1A1HSD17B10
SCHEMBL11257711 0.80 ALDH1A1 (0.47) KDM4EPOLBGAAALDH1A1HSD17B10
SCHEMBL25208567 0.79 KDM4E (0.46) KDM4EPOLBGAAALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3078660-B1 NOVEL QUINAZOLINE DERIVATIVE MYCHUNTER THERAPEUTICS INC (JP) 2022-07-13 EP disclosed
US-9682961-B2 Quinazoline derivative CARNA BIOSCIENCES, INC. (JP) 2017-06-20 US disclosed
EP-3078660-A1 NOVEL QUINAZOLINE DERIVATIVE Carna Biosciences Inc. (JP) 2016-10-12 EP disclosed
US-20160264555-A1 NOVEL QUINAZOLINE DERIVATIVE NATIONAL CANCER CENTER (JP) 2016-09-15 US disclosed
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 US disclosed
EP-2024342-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS Pfizer Products Incorporated (US) 2009-02-18 EP disclosed
WO-2007125405-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-08 WO disclosed
WO-2007125405-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-08 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 (3 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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 KDM4E 2041/4885POLB 4744/4885GAA 2711/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 KDM4E 2041/4885POLB 4744/4885GAA 2711/4885
US-20160264555-A1 NOVEL QUINAZOLINE DERIVATIVE WNT1, CTNNB1, CTNND1 KDM4E 2190/4885POLB 2859/4885GAA 4499/4885

“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.