SCHEMBL3573444

SCHEMBL3573444

CNc1cccnc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.55
ALDH1A1 P00352 6/20 0.55
MAPT P10636 2/20 0.55
ALOX15 P16050 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
CYP3A4 P08684 1/20 0.55
TSHR P16473 1/20 0.55
BLM P54132 1/20 0.55
AGER Q15109 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MYC P01106 1/20 0.49
CYP1A2 P05177 1/20 0.49
KDM4C Q9H3R0 1/20 0.44
ATM Q13315 2/20 0.44
POLB P06746 2/20 0.43
BRD4 O60885 1/20 0.43
ASPH Q12797 1/20 0.43
KDM8 Q8N371 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
GAA P10253 2/20 0.42

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
SCHEMBL14191237 0.85 MEN1 (0.44) KDM4EALDH1A1MAPTALOX15L3MBTL1
SCHEMBL15650965 0.83 MAP2K3 (0.50) KDM4EALDH1A1MAPTALOX15L3MBTL1
SCHEMBL16676649 0.83 POLB (0.45) KDM4EALDH1A1MAPTALOX15L3MBTL1
SCHEMBL1894761 0.81 L3MBTL1 (0.58) KDM4EALDH1A1ALOX15L3MBTL1NPSR1
SCHEMBL3573826 0.81 KMT2A (0.57) KDM4EALDH1A1MAPTALOX15L3MBTL1
SCHEMBL23931860 0.81 KDM4E (0.55) KDM4EALDH1A1MAPTALOX15L3MBTL1
SCHEMBL22523089 0.81 KDM4E (0.55) KDM4EALDH1A1MAPTALOX15L3MBTL1
SCHEMBL25466055 0.80 KDM4E (0.50) KDM4EALDH1A1MAPTALOX15L3MBTL1
SCHEMBL18428309 0.80 P2RX7 (0.51) KDM4EALDH1A1L3MBTL1ATMPOLB
Hydrochloric Acid SCHEMBL22365731 0.79 KDM4E (0.53) KDM4EALDH1A1MAPTALOX15L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
CN-107709323-A Oxipurinol class compound and its application 广东众生药业股份有限公司 2018-02-16 CN disclosed
CN-107614501-A Hydroxyl purine compound and application thereof 广东众生药业股份有限公司 2018-01-19 CN disclosed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed
CN-101379036-B Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE 2011-06-01 CN disclosed
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
CN-101379036-A Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE (CH) 2009-03-04 CN disclosed
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. 2007-09-20 US disclosed
US-5187167-A Antitumor agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-16 US disclosed
EP-0239362-B1 ANTI-TUMOR AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-12-04 EP disclosed
EP-0239362-A2 Anti-tumor agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-09-30 EP 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 (1 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-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds AADAT, AAAS, AADAC KDM4E 1828/4885ALDH1A1 1414/4885MAPT 2786/4885

“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.