SCHEMBL24908501

SCHEMBL24908501

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

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.55
HSP90AA1 P07900 1/20 0.40
PIN1 Q13526 4/20 0.38
MAPKAPK2 P49137 1/20 0.37
CYP19A1 P11511 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
KDM1A O60341 1/20 0.37
KCNH2 Q12809 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
SCHEMBL24908598 0.85 NOTUM (0.54) NOTUMHSP90AA1PIN1CYP19A1KDM1A
SCHEMBL2583097 0.84 NOTUM (0.55) NOTUMHSP90AA1PIN1CYP19A1IDO1
SCHEMBL23603985 0.82 NOTUM (0.59) NOTUMKDM1A
SCHEMBL13160180 0.80 NOTUM (0.51) NOTUMKCNH2
SCHEMBL13183607 0.80 NOTUM (0.53) NOTUM
SCHEMBL13469380 0.78 NOTUM (0.59) NOTUMHSP90AA1PIN1MAPKAPK2KDM1A
SCHEMBL9729936 0.78 FLT3 (0.46) NOTUM
SCHEMBL13119830 0.78 P2RX7 (0.50) NOTUM
SCHEMBL19589440 0.76 MAOA (0.50) NOTUMKCNH2
SCHEMBL20046658 0.75 RXRA (0.41) NOTUMKCNH2

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 4118/4885PIN1 4419/4885

“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.