SCHEMBL24908575

SCHEMBL24908575

COc1ccc(-n2cc(C(C)C)cn2)cc1C#N

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.46
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CACNA1H O95180 1/20 0.42
NPBWR1 P48145 1/20 0.40
MCHR1 Q99705 1/20 0.40

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
SCHEMBL24908619 0.92 AR (0.44) XDHNPBWR1MCHR1
SCHEMBL14207203 0.84 HSP90AA1 (0.41) ALDH1A1CACNA1H
SCHEMBL24908614 0.82 CYP11B1 (0.42) XDHCACNA1H
SCHEMBL24908515 0.80 CACNA1H (0.39) KDM4EALDH1A1CACNA1H
SCHEMBL22831651 0.79 XDH (0.47) XDHKDM4EUSP2ALDH1A1
SCHEMBL24908613 0.75 NOTUM (0.41) CACNA1H
SCHEMBL11150870 0.74 ALDH1A1 (0.58) KDM4EUSP2ALDH1A1CACNA1H
SCHEMBL7865160 0.73 XDH (0.58) XDH
SCHEMBL2609437 0.73 MAPKAPK2 (0.48) KDM4EALDH1A1NPBWR1MCHR1
SCHEMBL24908424 0.73 GRM5 (0.54)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230014445-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2023-01-19 US 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-20230014445-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, PIK3R4, PIK3R5 XDH 1567/4885KDM4E 2710/4885USP2 4333/4885

“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.