SCHEMBL23927064

SCHEMBL23927064

Cc1cc(C#N)cc(C)c1Oc1ccc(Nc2ncccc2N)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
ABCC3 O15438 1/20 0.42
ESR1 P03372 1/20 0.42
PGR P06401 1/20 0.42
CHRM2 P08172 1/20 0.42
ABCB1 P08183 1/20 0.42
ADRA2A P08913 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD1 P21728 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
ADORA1 P30542 1/20 0.42
ABCC1 P33527 1/20 0.42
OPRM1 P35372 1/20 0.42
KCNH2 Q12809 1/20 0.42
ABCC2 Q92887 1/20 0.42

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
SCHEMBL30079611 1.00 CYP2C9 (0.42) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL23927045 0.83 MAPT (0.46) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL23926974 0.78 KDM4E (0.51) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL30079731 0.78 KDM4E (0.51) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL717523 0.77 CYP2C9 (0.56) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL6354575 0.75 PIK3CA (0.61) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL4807750 0.73 CA12 (0.57) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL719477 0.72 CYP2C9 (0.51) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL25027874 0.71 PIK3CA (0.39) CYP2C9DRD1PIK3CAPIK3CDPIK3CB
SCHEMBL31157926 0.71 PIK3CA (0.39) CYP2C9DRD1PIK3CAPIK3CDPIK3CB

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 CYP2C9 2229/4885CYP2C19 1909/4885CYP1A2 1162/4885

“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.