SCHEMBL3560429

SCHEMBL3560429

COC(=O)c1cncc(C(=O)OC)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
GLA P06280 1/20 0.47
ATM Q13315 1/20 0.46
TSHR P16473 2/20 0.44
ABL1 P00519 1/20 0.43
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
NQO2 P16083 2/20 0.40
TUBB4A P04350 1/20 0.40

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
SCHEMBL28488115 0.92 KDM4E (0.42) ALDH1A1KDM4EGAAGLAATM
SCHEMBL21558450 0.88 ATM (0.44) ALDH1A1KDM4EGAAGLAATM
SCHEMBL4255028 0.88 LMNA (0.44) ALDH1A1KDM4EGAAGLAATM
SCHEMBL31347599 0.87 KDM4E (0.41) ALDH1A1KDM4EGAAGLAATM
SCHEMBL6507153 0.87 KDM4E (0.41) ALDH1A1KDM4EGAAGLAATM
SCHEMBL15240033 0.87 L3MBTL1 (0.42) ALDH1A1KDM4EGAAGLAATM
SCHEMBL29741070 0.82 GAA (0.46) ALDH1A1KDM4EGAAGLAATM
SCHEMBL29741272 0.82 TSHR (0.39) ALDH1A1KDM4EGAAGLAATM
SCHEMBL14893447 0.80 ATM (0.49) ALDH1A1KDM4EGAAGLAATM
SCHEMBL10467534 0.80 ALDH1A1 (0.48) ALDH1A1KDM4EGAAGLAATM

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105793254-B Azaquinazoline carboxamide derivatives 默克专利有限公司 2020-10-23 CN disclosed
US-10233160-B2 Substituted pyrido[3,4-d]pyrimidines and pyrido[4,3-d]pyrimidines as p70S6K inhibitors MERCK PATENT GMBH (DE) 2019-03-19 US disclosed
US-10233160-B2 Substituted pyrido[3,4-d]pyrimidines and pyrido[4,3-d]pyrimidines as p70S6K inhibitors MERCK PATENT GMBH (DE) 2019-03-19 US disclosed
US-20180237402-A1 AZAQUINAZOLINE CARBOXAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2018-08-23 US disclosed
US-9981925-B2 Substituted benzo[d][1,2,3]triazines as p70S6K inhibitors MERCK PATENT GMBH (DE) 2018-05-29 US disclosed
US-9981925-B2 Substituted benzo[d][1,2,3]triazines as p70S6K inhibitors MERCK PATENT GMBH (DE) 2018-05-29 US disclosed
US-9981925-B2 Substituted benzo[d][1,2,3]triazines as p70S6K inhibitors MERCK PATENT GMBH (DE) 2018-05-29 US disclosed
US-20160340323-A1 AZAQUINAZOLINE CARBOXAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2016-11-24 US disclosed
US-20160340323-A1 AZAQUINAZOLINE CARBOXAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2016-11-24 US disclosed
US-20160340323-A1 AZAQUINAZOLINE CARBOXAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2016-11-24 US disclosed
WO-2014085528-A1 AZAQUINAZOLINE CARBOXAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2014-06-05 WO disclosed
WO-2014085528-A1 AZAQUINAZOLINE CARBOXAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2014-06-05 WO disclosed
US-7659307-B2 Nonphytotoxic; 4-Bromo-3-methoxy-N-4-[4(trifluoromethyl)phenoxy]phenyl-thiophene-2-carboxamide; 4-[(Allyloxycarbonyl)amino]-3-methoxy-N-4-[4-(trifluoromethyl)phenoxy]phenyl-thiophene-2-carboxamide BAYER CROPSCIENCE S.A. (FR) 2010-02-09 US disclosed
US-7659307-B2 Nonphytotoxic; 4-Bromo-3-methoxy-N-4-[4(trifluoromethyl)phenoxy]phenyl-thiophene-2-carboxamide; 4-[(Allyloxycarbonyl)amino]-3-methoxy-N-4-[4-(trifluoromethyl)phenoxy]phenyl-thiophene-2-carboxamide BAYER CROPSCIENCE S.A. (FR) 2010-02-09 US disclosed
US-7659307-B2 Nonphytotoxic; 4-Bromo-3-methoxy-N-4-[4(trifluoromethyl)phenoxy]phenyl-thiophene-2-carboxamide; 4-[(Allyloxycarbonyl)amino]-3-methoxy-N-4-[4-(trifluoromethyl)phenoxy]phenyl-thiophene-2-carboxamide BAYER CROPSCIENCE S.A. (FR) 2010-02-09 US disclosed
US-20060205732-A1 Heterocyclic carboxamides and their use as fungicides BAYER SAS (FR) 2006-09-14 US disclosed
US-7084163-B2 Heterocyclic carboxamides and their use as fungicides BAYER CROPSCIENCE S.A. (FR) 2006-08-01 US disclosed
US-20040152698-A1 Heterocyclic carboxamides and their use as fungicides BAYER SAS (FR) 2004-08-05 US disclosed
EP-1425276-A2 HETEROCYCLIC CARBOXAMIDES AND THEIR USE AS FUNGICIDES Bayer CropScience S.A. (FR) 2004-06-09 EP disclosed
WO-2003006454-A2 HETEROCYCLIC CARBOXAMIDES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE S.A. (FR) 2003-01-23 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 (5 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-20040152698-A1 Heterocyclic carboxamides and their use as fungicides CYP1A2, CYP4X1, CYCS ALDH1A1 3137/4885KDM4E 543/4885GAA 319/4885
US-20180237402-A1 AZAQUINAZOLINE CARBOXAMIDE DERIVATIVES RPS6KA3, RPS6KA4, CDK4 ALDH1A1 3527/4885KDM4E 550/4885GAA 3572/4885
US-20060205732-A1 Heterocyclic carboxamides and their use as fungicides CYP4X1, CYP1A2, CYCS ALDH1A1 2827/4885KDM4E 501/4885GAA 553/4885
US-20160340323-A1 AZAQUINAZOLINE CARBOXAMIDE DERIVATIVES RPS6KA3, RPS6KA4, CDK4 ALDH1A1 3527/4885KDM4E 550/4885GAA 3572/4885
US-10233160-B2 Substituted pyrido[3,4-d]pyrimidines and pyrido[4,3-d]pyrimidines as p70S6K inhibitors CDK4, CDK2, RPS6KA4 ALDH1A1 3625/4885KDM4E 623/4885GAA 3924/4885

“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.