SCHEMBL3357653

SCHEMBL3357653

CSc1nc(O)cc(C(=O)O)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.42
TSHR P16473 2/20 0.42
HIF1A Q16665 1/20 0.42
HCAR2 Q8TDS4 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PPARG P37231 1/20 0.37
DAO P14920 1/20 0.37
TDP1 Q9NUW8 3/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.35
GPR35 Q9HC97 2/20 0.35
KDM4E B2RXH2 4/20 0.34
ACMSD Q8TDX5 1/20 0.34
MCL1 Q07820 1/20 0.34
HCAR3 P49019 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
KDM6B O15054 1/20 0.33
TET3 O43151 1/20 0.33

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
SCHEMBL14510449 0.81 KMT2A (0.51) ALOX15TSHRHIF1AMEN1KMT2A
SCHEMBL7070155 0.80 KDM4E (0.46) ALOX15TSHRMEN1KMT2ALMNA
SCHEMBL5848301 0.79 KMT2A (0.49) ALOX15TSHRHIF1AHCAR2MEN1
SCHEMBL537673 0.79 MAPK1 (0.42) MEN1KMT2ALMNAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL5850055 0.78 KMT2A (0.47) ALOX15TSHRHIF1AHCAR2MEN1
SCHEMBL10389212 0.77 MAPK1 (0.41) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL29352953 0.77 MAPK1 (0.41) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL28715240 0.77 MAPK1 (0.41) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL10389241 0.77 MAPK1 (0.41) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL1178768 0.77 HCAR2 (0.39) ALOX15TSHRHIF1AHCAR2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US claimed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 US claimed
EP-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP claimed
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives PHARMACIA & UPJOHN COMPANY 2004-09-02 US claimed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 WO claimed
US-12581252-B2 Substituted pyrrolo[3,4-b]pyridines as PI3K-α inhibitors RELAY THERAPEUTICS, INC. (US) 2026-03-17 US disclosed
CN-119855815-A KRAS mutant protein inhibitor, and preparation method and application thereof 甘李药业股份有限公司 2025-04-18 CN disclosed
US-12219327-B2 Substituted isoindolines as PI3K-alpha inhibitors RELAY THERAPEUTICS, INC. (US) 2025-02-04 US disclosed
US-20240287058-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2024-08-29 US disclosed
CN-117229281-A Di-parallel ring derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-12-15 CN disclosed
US-20230353959-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2023-11-02 US disclosed
US-20230353959-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2023-11-02 US disclosed
US-6995175-B2 Chemical derivatives and their application as antitelomerase agent AVENTIS PHARMA S.A. (FR) 2006-02-07 US disclosed
EP-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP disclosed
US-20040138257-A1 Chemical derivatives and their application as antitelomerase agent AVENTIS PHARMA S.A. (FR) 2004-07-15 US disclosed
US-6570015-B2 Reacting alpha-keto ester with an isothiourea UBE INDUSTRIES, LTD. (JP) 2003-05-27 US disclosed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 WO disclosed
US-20030055252-A1 Process for producing 2-substituted thiopyrimidine-4-carboxylate UBE INDUSTRIES, LTD. (JP) 2003-03-20 US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 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 (7 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-20040138257-A1 Chemical derivatives and their application as antitelomerase agent NTPCR, DPYD, NME1 ALOX15 2526/4885TSHR 3754/4885HIF1A 1123/4885
US-12219327-B2 Substituted isoindolines as PI3K-alpha inhibitors PIK3CD, PIK3CB, PIK3R1 ALOX15 4083/4885TSHR 4529/4885HIF1A 2187/4885
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives BACE1, BACE2, PSEN1 ALOX15 3594/4885TSHR 3190/4885HIF1A 1569/4885
US-20240287058-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF PIK3CA, PIK3CB, PIK3CD ALOX15 3342/4885TSHR 4478/4885HIF1A 1991/4885
US-20030055252-A1 Process for producing 2-substituted thiopyrimidine-4-carboxylate DHFR, TYMS, DPYD ALOX15 2314/4885TSHR 1285/4885HIF1A 1017/4885
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease BACE1, BACE2, APP ALOX15 3860/4885TSHR 2085/4885HIF1A 3667/4885
US-12581252-B2 Substituted pyrrolo[3,4-b]pyridines as PI3K-α inhibitors RORB, ROR1, RORA ALOX15 3499/4885TSHR 146/4885HIF1A 1746/4885

“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.