SCHEMBL503233

SCHEMBL503233

c1ccc(-n2ccnn2)nc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
MAP3K5 Q99683 1/20 0.44
NOTUM Q6P988 8/20 0.42
RAB9A P51151 1/20 0.42
KEAP1 Q14145 1/20 0.42
ALKBH2 Q6NS38 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
PLD1 Q13393 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.39
EP300 Q09472 1/20 0.39
KAT2B Q92831 1/20 0.39

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
SCHEMBL31359354 1.00 SMN1; SMN2 (0.46) SMN1; SMN2MAP3K5NOTUMRAB9AKEAP1
SCHEMBL4559009 0.75 NOTUM (0.42) MAP3K5NOTUMKEAP1
SCHEMBL30643761 0.75 NOTUM (0.42) MAP3K5NOTUMKEAP1
SCHEMBL2572956 0.74 EGLN2 (0.67) EGLN1ALDH1A1GAA
SCHEMBL31078777 0.73 NOTUM (0.53) SMN1; SMN2NOTUMRAB9AALKBH2EGLN1
SCHEMBL28191878 0.73 NOTUM (0.41) MAP3K5NOTUMKEAP1
SCHEMBL2731431 0.73 NOTUM (0.53) SMN1; SMN2NOTUMRAB9AALKBH2EGLN1
SCHEMBL24240280 0.73 NOTUM (0.48) MAP3K5NOTUMKEAP1
SCHEMBL8133334 0.73 NOTUM (0.43) NOTUMKEAP1
SCHEMBL173802 0.72 KDM4E (0.50) SMN1; SMN2NOTUMRAB9AALKBH2EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025111482-A1 COMPLEXING AGENT SALT FORMULATIONS OF PHARMACEUTICAL COMPOUNDS AT LOW STOICHIOMETRIC RATIOS BEXSON BIOMEDICAL, INC. (US) 2025-05-30 WO claimed
CN-114787173-B Metal complex UDC爱尔兰有限公司 2024-10-18 CN claimed
CN-116173989-B High 1T-MoS2Preparation and performance research of dissimilar metal colorimetric sensor material 哈尔滨理工大学 2024-06-11 CN claimed
CN-117466341-A Polyacid-induced hollow CoS 2 Preparation and application of nanospheres 哈尔滨理工大学 2024-01-30 CN claimed
CN-114591354-B Production and preparation method of 4-hydroxy-1, 5-naphthyridine europium complex 兰州睿尔思新材料有限公司 2023-11-24 CN claimed
CN-114805836-B Preparation and catalytic performance of polyacid-based cobalt organic framework with double interpenetrating structure 哈尔滨理工大学 2023-09-08 CN claimed
CN-114790298-B Multi-acid-base nickel metal organic frame colorimetric sensing material with interpenetrating structure 哈尔滨理工大学 2023-07-04 CN claimed
CN-116173989-A High 1T-MoS 2 Preparation and performance research of dissimilar metal colorimetric sensor material 哈尔滨理工大学 2023-05-30 CN claimed
US-20230056324-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2023-02-23 US claimed
CN-114805836-A Preparation and catalytic performance of polyacid-based cobalt organic framework with double interpenetrating structure 哈尔滨理工大学 2022-07-29 CN claimed
US-20120157386-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-06-21 US claimed
US-20120157383-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-06-21 US claimed
WO-2012082857-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-06-21 WO claimed
WO-2009054789-A1 1,2,3-TRIAZOLE PYRROLIDINE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 WO claimed
WO-2009054785-A1 1,2,4-TRIAZOLE ETHER DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 WO claimed
EP-1613617-A4 DI-ARYL SUBSTITUTED TRIAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO INC (US) 2009-02-18 EP claimed
WO-2007059457-A2 INDICATOR FIXED ION-EXCHANGE MEMBRANE ADVANCED ENERGY TECHNOLOGY INC. (US) 2007-05-24 WO claimed
EP-1613617-A2 DI-ARYL SUBSTITUTED TRIAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Merck & Co., Inc. (US) 2006-01-11 EP claimed
WO-2004089306-A2 DI-ARYL SUBSTITUTED TRIAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO., INC. (US) 2004-10-21 WO claimed
US-4775762-A INSECTICIDES THE DOW CHEMICAL COMPANY (US) 1988-10-04 US claimed

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-20230056324-A1 METAL COMPLEXES MCU, IMMT, SOD1 SMN1; SMN2 4259/4885MAP3K5 4383/4885NOTUM 2634/4885
US-20120157386-A1 NEPRILYSIN INHIBITORS MME, REN, ACE SMN1; SMN2 905/4885MAP3K5 2535/4885NOTUM 1507/4885
US-20120157383-A1 NEPRILYSIN INHIBITORS MME, REN, ACE SMN1; SMN2 905/4885MAP3K5 2535/4885NOTUM 1507/4885

“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.