Sugi Predict

Sugi Predict / Compounds / SCHEMBL3563589

SCHEMBL3563589

SCHEMBL3563589

COC(=O)c1c[nH]cc(C(=O)OC)c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.55
▸ KDM4E B2RXH2 3/20 0.47
▸ GLA P06280 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ NR4A2 P43354 5/20 0.44
▸ CREBBP Q92793 1/20 0.44
▸ TSHR P16473 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ CFTR P13569 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA7 P43166 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA14 Q9ULX7 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ ATM Q13315 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
SCHEMBL3563593 0.92 MAPT (0.49) MAPTKDM4EGLAGAANR4A2
SCHEMBL69740 0.87 NR4A2 (0.48) MAPTKDM4EGLAGAANR4A2
SCHEMBL11933614 0.86 MAPT (0.43) MAPTKDM4EGLAGAANR4A2
SCHEMBL261551 0.79 NOTUM (0.52) MAPTKDM4EGLAGAANR4A2
SCHEMBL1155989 0.79 NOTUM (0.58) MAPTKDM4EGLAGAANR4A2
SCHEMBL21367044 0.77 NR4A2 (0.45) MAPTKDM4EGLAGAANR4A2
SCHEMBL9549453 0.77 KDM4E (0.50) MAPTKDM4EGLAGAANR4A2
SCHEMBL16694755 0.77 ALDH1A1 (0.60) MAPTKDM4EGLAGAANR4A2
SCHEMBL15334363 0.76 SLC6A3 (0.59) MAPTKDM4ETSHRLMNAALDH1A1
SCHEMBL7439372 0.76 KMT2A (0.61) MAPTKDM4EGAATSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114539142-A Pyridone compound, and pharmaceutical composition, preparation method and application thereof 中以海德人工智能药物研发股份有限公司 2022-05-27 — — CN disclosed
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
EP-2925747-A1 AZAQUINAZOLINE CARBOXAMIDE DERIVATIVES Merck Patent GmbH (DE) 2015-10-07 — — EP disclosed
US-20150259339-A1 AZAQUINAZOLINE CARBOXAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2015-09-17 — — US disclosed
US-20150259339-A1 AZAQUINAZOLINE CARBOXAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2015-09-17 — — US disclosed
US-20150259339-A1 AZAQUINAZOLINE CARBOXAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2015-09-17 — — 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20150259339-A1 AZAQUINAZOLINE CARBOXAMIDE DERIVATIVES RPS6KA3, RPS6KA4, CDK4 MAPT 4389/4885KDM4E 550/4885GLA 3621/4885
US-20040152698-A1 Heterocyclic carboxamides and their use as fungicides CYP1A2, CYP4X1, CYCS MAPT 4778/4885KDM4E 543/4885GLA 825/4885
US-20180237402-A1 AZAQUINAZOLINE CARBOXAMIDE DERIVATIVES RPS6KA3, RPS6KA4, CDK4 MAPT 4389/4885KDM4E 550/4885GLA 3621/4885
US-20060205732-A1 Heterocyclic carboxamides and their use as fungicides CYP4X1, CYP1A2, CYCS MAPT 4693/4885KDM4E 501/4885GLA 1095/4885
US-20160340323-A1 AZAQUINAZOLINE CARBOXAMIDE DERIVATIVES RPS6KA3, RPS6KA4, CDK4 MAPT 4389/4885KDM4E 550/4885GLA 3621/4885
US-10233160-B2 Substituted pyrido[3,4-d]pyrimidines and pyrido[4,3-d]pyrimidines as p70S6K inhibitors CDK4, CDK2, RPS6KA4 MAPT 4095/4885KDM4E 623/4885GLA 4281/4885

“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.