SCHEMBL23927014

SCHEMBL23927014

COc1cc(Oc2ccc(Nc3cccnc3N)cn2)ccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.47
PIK3CA P42336 6/20 0.47
PIK3CB P42338 6/20 0.47
PIK3CG P48736 6/20 0.47
MTOR P42345 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
BRCA1 P38398 1/20 0.39
HBB P68871 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DHFR P00374 2/20 0.39
POLB P06746 1/20 0.38
GRM4 Q14833 1/20 0.38
HTR2C P28335 1/20 0.37
ACP1 P24666 1/20 0.37
BRAF P15056 1/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL30079766 1.00 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL23926951 0.89 MAPT (0.49) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL30079564 0.89 MAPT (0.49) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL30079796 0.85 PIK3CA (0.48) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL23926990 0.85 PIK3CA (0.48) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL23926961 0.78 L3MBTL1 (0.48) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL30079634 0.78 L3MBTL1 (0.48) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL23927082 0.77 PIK3CA (0.46) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL30079725 0.77 PIK3CA (0.46) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL23927074 0.76 PIK3CA (0.43) PIK3CDPIK3CAPIK3CBPIK3CGMTOR

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
US-20230124087-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS HOFFMANN-LA ROCHE INC. (US) 2023-04-20 US disclosed
EP-4139306-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS F. Hoffmann-La Roche AG (CH) 2023-03-01 EP disclosed
CN-115380032-A KV3 enhancers for the treatment of cognitive disorders 豪夫迈·罗氏有限公司 2022-11-22 CN disclosed
WO-2021214090-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2021-10-28 WO disclosed
EP-3901152-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS F. Hoffmann-La Roche AG (CH) 2021-10-27 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-20230124087-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS KCNN3, KCNA4, KCNA3 PIK3CD 2501/4885PIK3CA 2780/4885PIK3CB 1700/4885

“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.