SCHEMBL21640765

SCHEMBL21640765

COc1ccc(-c2nsc(N)n2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.51
PIK3CD O00329 1/20 0.51
PIP5K1C O60331 1/20 0.51
PIK3CB P42338 1/20 0.51
PI4KA P42356 1/20 0.51
PIK3CG P48736 1/20 0.51
PI4KB Q9UBF8 1/20 0.51
ADORA2A P29274 2/20 0.49
ADORA1 P30542 2/20 0.49
ADORA3 P0DMS8 1/20 0.49
ADORA2B P29275 1/20 0.49
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
CYP2A6 P11509 2/20 0.46
CYP19A1 P11511 2/20 0.46
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
JAK2 O60674 1/20 0.42
NNMT P40261 1/20 0.41
FYN P06241 1/20 0.41

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
SCHEMBL30585751 1.00 PIK3CA (0.51) PIK3CAPIK3CDPIP5K1CPIK3CBPI4KA
SCHEMBL13662710 0.79 ADORA3 (0.53) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL2578415 0.77 ADORA3 (0.59) ADORA2AADORA1ADORA3ADORA2BCYP19A1
SCHEMBL13822157 0.75 ADORA3 (0.49) PIK3CAPIK3CDPIP5K1CPIK3CBPI4KA
SCHEMBL15071937 0.75 ADORA3 (0.49) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL13659743 0.75 ADORA3 (0.49) PIK3CAPIK3CDPIK3CBPI4KAPIK3CG
SCHEMBL20390773 0.73 CYP19A1 (0.65) PIK3CAPIK3CDPIP5K1CPIK3CBPI4KA
SCHEMBL15740881 0.73 MKNK1 (0.49) PIK3CAPIK3CDPIP5K1CPIK3CBPI4KA
SCHEMBL31174412 0.73 CYP2A6 (0.68) PIK3CAPIK3CDPIP5K1CPIK3CBPI4KA
SCHEMBL3754419 0.73 CYP2A6 (0.68) PIK3CAPIK3CDPIP5K1CPIK3CBPI4KA

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 5 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

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 PIK3CA 2728/4885PIK3CD 3376/4885PIP5K1C 574/4885
US-11286255-B2 Pyridone carboxylic acid derivative or salt thereof RARA, RAB10, RABL6 PIK3CA 2239/4885PIK3CD 3314/4885PIP5K1C 706/4885

“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.