SCHEMBL24908598

SCHEMBL24908598

CCC(C)c1cn(-c2ccc(C#N)cc2)nn1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.54
HSP90AA1 P07900 1/20 0.39
CYP19A1 P11511 5/20 0.39
PIN1 Q13526 3/20 0.38
CHRNA10 Q9GZZ6 1/20 0.38
CHRNA9 Q9UGM1 1/20 0.38
KDM1A O60341 1/20 0.36

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
SCHEMBL24908501 0.85 NOTUM (0.55) NOTUMHSP90AA1CYP19A1PIN1KDM1A
SCHEMBL2583097 0.79 NOTUM (0.55) NOTUMHSP90AA1CYP19A1PIN1KDM1A
SCHEMBL20282459 0.74 RXRA (0.48)
SCHEMBL20282458 0.74 RXRA (0.48)
SCHEMBL13469380 0.73 NOTUM (0.59) NOTUMHSP90AA1PIN1KDM1A
SCHEMBL22352192 0.72 RXRA (0.33) NOTUM
SCHEMBL13469381 0.71 NOTUM (0.65) NOTUMHSP90AA1CYP19A1
SCHEMBL24754348 0.70 RXRA (0.55)
SCHEMBL25847222 0.70 RXRA (0.42)
SCHEMBL23451495 0.70 NOTUM (1.00) NOTUM

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 NOTUM 2481/4885HSP90AA1 4118/4885CYP19A1 169/4885

“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.