SCHEMBL9230808

SCHEMBL9230808

Nc1nc(-c2cccnc2)ns1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.67
ADORA3 P0DMS8 1/20 0.65
ADORA2A P29274 1/20 0.65
ADORA2B P29275 1/20 0.65
ADORA1 P30542 1/20 0.65
SMN1; SMN2 Q16637 4/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.52
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
HTT P42858 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CYP2A6 P11509 3/20 0.50
CYP3A4 P08684 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2E1 P05181 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL30585815 1.00 CYP19A1 (0.67) CYP19A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL8043705 0.80 CYP19A1 (1.00) CYP19A1SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL69810 0.79 ADORA3 (1.00) CYP19A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL3765867 0.79 CYP19A1 (0.67) CYP19A1SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL6529695 0.79 CYP19A1 (0.67) CYP19A1SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL21641131 0.77 ADORA1 (0.57) CYP19A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL3252621 0.77 ADORA3 (0.68) CYP19A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL11883602 0.76 CYP19A1 (0.58) CYP19A1SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL25083884 0.75 CYP19A1 (0.61) CYP19A1SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL25883843 0.75 CYP19A1 (0.61) CYP19A1ADORA3SMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3604305-B1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF WAKUNAGA PHARMA CO LTD (JP) 2024-08-28 EP disclosed
CN-110520422-B Novel pyridonecarboxylic acid derivative or salt thereof 涌永制药株式会社 2023-09-05 CN disclosed
US-11286255-B2 Pyridone carboxylic acid derivative or salt thereof WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2022-03-29 US disclosed
US-20200062752-A1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2020-02-27 US disclosed
EP-3604305-A1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF Wakunaga Pharmaceutical Co., Ltd. (JP) 2020-02-05 EP disclosed
EP-0641797-A1 Cephem derivatives and antimicrobial agents containing the same KATAYAMA SEIYAKUSYO CO. Ltd. (JP) 1995-03-08 EP disclosed
EP-0455356-A1 Substituted 5-amino-1,2,4-thiadiazoles with pharmaceutical activity LILLY INDUSTRIES LIMITED (GB) 1991-11-06 EP disclosed
US-4001203-A Heavy metal complexes of azo dyestuffs containing a heterocyclic diazo component and the residue of 5-halogeno-2,3-dihydrozypyridine as coupling component CIBA-GEIGY AG (CH) 1977-01-04 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 (2 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-20200062752-A1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF RAB10, HDAC10, NEK10 CYP19A1 3319/4885ADORA3 716/4885ADORA2A 596/4885
US-11286255-B2 Pyridone carboxylic acid derivative or salt thereof RARA, RAB10, RABL6 CYP19A1 2635/4885ADORA3 685/4885ADORA2A 553/4885

“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.