SCHEMBL24908620

SCHEMBL24908620

CC(C)c1cnn(-c2ccc(C#N)nc2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.36
KDM5B Q9UGL1 1/20 0.34
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
EP300 Q09472 2/20 0.34
PANK3 Q9H999 3/20 0.33
MTOR P42345 2/20 0.33
PIK3CD O00329 1/20 0.33
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
HCK P08631 1/20 0.33
SRC P12931 1/20 0.33
KDR P35968 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
EPHB4 P54760 1/20 0.33
PRKDC P78527 1/20 0.33
PI4KB Q9UBF8 1/20 0.33

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
SCHEMBL24908613 0.80 NOTUM (0.41) IRAK4EP300PANK3MTOR
SCHEMBL22902068 0.76 NOTUM (0.50) MTOR
SCHEMBL24908472 0.75 OGA (0.43) OPRM1OPRL1
SCHEMBL104694 0.73 PANK3 (0.39) KDM5BPANK3MTORPIK3CDABL1
SCHEMBL24908614 0.73 CYP11B1 (0.42)
SCHEMBL26051361 0.73 MAPT (0.42) OPRM1MTOR
SCHEMBL24908424 0.72 GRM5 (0.54) IRAK4
SCHEMBL2609437 0.72 MAPKAPK2 (0.48) NPBWR1MCHR1
SCHEMBL24908575 0.71 XDH (0.46) NPBWR1MCHR1
SCHEMBL24908619 0.71 AR (0.44) NPBWR1MCHR1EGFR

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 IRAK4 439/4885KDM5B 4291/4885NPBWR1 3676/4885

“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.