SCHEMBL24908617

SCHEMBL24908617

CSc1cnc(C2CC2)nc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.32
OPRL1 P41146 2/20 0.31
OPRM1 P35372 1/20 0.31
PDE10A Q9Y233 1/20 0.31
PCSK9 Q8NBP7 2/20 0.31
TK1 P04183 1/20 0.30

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
SCHEMBL6879913 0.73 MAPK1 (0.39) HDAC4OPRL1PDE10A
SCHEMBL19706489 0.72 OPRM1 (0.49) OPRL1OPRM1
SCHEMBL22950609 0.69 PKM (0.32)
SCHEMBL15353373 0.69 HDAC4 (0.41) HDAC4OPRL1PDE10A
SCHEMBL11086191 0.69 MAPK1 (0.39) HDAC4OPRL1PDE10A
SCHEMBL26365349 0.69 OPRL1 (0.50) HDAC4OPRL1PDE10A
SCHEMBL1713163 0.69 HDAC4 (0.38) HDAC4OPRL1PDE10A
SCHEMBL587475 0.69 HDAC4 (0.38) HDAC4OPRL1PDE10A
SCHEMBL19336398 0.69 HDAC4 (0.34) HDAC4OPRL1PDE10A
SCHEMBL24958720 0.69 OPRM1 (0.33) OPRL1OPRM1

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 HDAC4 2923/4885OPRL1 2245/4885OPRM1 3242/4885

“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.