SCHEMBL9852299

SCHEMBL9852299

Nc1nc(-c2cnccn2)ns1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.43
ADORA1 P30542 2/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2B P29275 1/20 0.43
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PI4KA P42356 1/20 0.42
PIK3CG P48736 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
HSP90AA1 P07900 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36

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
SCHEMBL6529561 0.78 NPC1 (0.36) ADORA2AADORA1PIK3CDPIK3CAPIK3CB
SCHEMBL7016896 0.78 NPC1 (0.46) ADORA2AADORA1PIK3CDPIK3CAPIK3CB
SCHEMBL30585765 0.74 KDM4E (0.56) ADORA2AADORA1ADORA3ADORA2BPIK3CD
SCHEMBL21641430 0.73 ADORA3 (0.46) ADORA2AADORA1ADORA3ADORA2BKDM4E
SCHEMBL4780009 0.73 NPC1 (0.46) ADORA2AADORA1PIK3CDPIK3CAPIK3CB
SCHEMBL6984936 0.72 KDM4E (0.53) ADORA2AADORA1ADORA3ADORA2BPIK3CD
SCHEMBL23647932 0.71 HSP90AA1 (0.48) ADORA2AADORA1PIK3CDPIK3CAPIK3CB
SCHEMBL25332902 0.70 TSHR (0.38) KDM4EGLAHTTRECQLNPC1
SCHEMBL18104287 0.70 ADORA3 (0.43) ADORA2AADORA1ADORA3ADORA2BKDM4E
SCHEMBL9852110 0.70 ADORA2A (0.55) ADORA2AADORA1ADORA3ADORA2BPIK3CD

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 7 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
US-20090264380-A1 6,11-BRIDGED BIARYL MACROLIDES ENANTA PHARMACEUTICALS, INC. 2009-10-22 US disclosed
EP-0455356-A1 Substituted 5-amino-1,2,4-thiadiazoles with pharmaceutical activity LILLY INDUSTRIES LIMITED (GB) 1991-11-06 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 (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-20200062752-A1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF RAB10, HDAC10, NEK10 ADORA2A 596/4885ADORA1 268/4885ADORA3 716/4885
US-11286255-B2 Pyridone carboxylic acid derivative or salt thereof RARA, RAB10, RABL6 ADORA2A 553/4885ADORA1 250/4885ADORA3 685/4885
US-20090264380-A1 6,11-BRIDGED BIARYL MACROLIDES CYP2B6, CYP2D6, ABCB11 ADORA2A 2930/4885ADORA1 2307/4885ADORA3 2250/4885

“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.