SCHEMBL23926990

SCHEMBL23926990

COc1cc(Oc2ccc(Nc3nccnc3N)cn2)ccc1C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.48
PIK3CG P48736 10/20 0.48
PIK3CD O00329 9/20 0.48
PIK3CB P42338 9/20 0.48
KDM4E B2RXH2 3/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
BRCA1 P38398 1/20 0.41
HBB P68871 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MTOR P42345 2/20 0.41
KEAP1 Q14145 1/20 0.38
PIP4K2A P48426 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
SCHEMBL30079796 1.00 PIK3CA (0.48) PIK3CAPIK3CGPIK3CDPIK3CBKDM4E
SCHEMBL23927074 0.87 PIK3CA (0.43) PIK3CAPIK3CGPIK3CDPIK3CBKDM4E
SCHEMBL30079642 0.87 PIK3CA (0.43) PIK3CAPIK3CGPIK3CDPIK3CBKDM4E
SCHEMBL23927014 0.85 PIK3CD (0.47) PIK3CAPIK3CGPIK3CDPIK3CBKDM4E
SCHEMBL30079766 0.85 PIK3CD (0.47) PIK3CAPIK3CGPIK3CDPIK3CBKDM4E
SCHEMBL23927082 0.83 PIK3CA (0.46) PIK3CAPIK3CGPIK3CDPIK3CBKDM4E
SCHEMBL30079725 0.83 PIK3CA (0.46) PIK3CAPIK3CGPIK3CDPIK3CBKDM4E
SCHEMBL30079564 0.80 MAPT (0.49) PIK3CAPIK3CGPIK3CDPIK3CBKDM4E
SCHEMBL23926951 0.80 MAPT (0.49) PIK3CAPIK3CGPIK3CDPIK3CBKDM4E
SCHEMBL1979739 0.79 KDM4E (0.63) KDM4EPOLBMEN1ALDH1A1BRCA1

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 PIK3CA 2780/4885PIK3CG 2454/4885PIK3CD 2501/4885

“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.