SCHEMBL24908596

SCHEMBL24908596

CC(C)c1cnn(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASR P41180 5/20 0.42
NTRK1 P04629 1/20 0.41
FLT3 P36888 1/20 0.41
NOTUM Q6P988 1/20 0.41
EPHX2 P34913 1/20 0.40
GCGR P47871 8/20 0.40
GLP1R P43220 3/20 0.39
GIPR P48546 3/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
HIF1A Q16665 1/20 0.38
PTGS2 P35354 1/20 0.37
GRM4 Q14833 1/20 0.37

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
SCHEMBL22902068 0.83 NOTUM (0.50) NOTUM
SCHEMBL24908516 0.82 EPHX2 (0.42) CASRNTRK1FLT3EPHX2GCGR
SCHEMBL27498530 0.82 EPHX2 (0.63) NOTUMEPHX2
SCHEMBL15119356 0.81 KDM5B (0.43) NOTUMGRM4
SCHEMBL24908625 0.80 NPBWR1 (0.49)
SCHEMBL26051361 0.80 MAPT (0.42) FLT3NOTUM
SCHEMBL19531652 0.80 MELK (0.42) NOTUMGRM4
SCHEMBL27496862 0.78 NOTUM (0.44) NTRK1FLT3NOTUMEPHX2GCGR
SCHEMBL12351974 0.78 GAA (0.53) HSP90AA1GRM4
SCHEMBL2609437 0.75 MAPKAPK2 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1218472-A Pharmaceutically useful compounds ASTRA PHARMA PROD (GB) 1999-06-02 CN claimed
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 CASR 1121/4885NTRK1 1669/4885FLT3 1286/4885

“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.