SCHEMBL24908516

SCHEMBL24908516

CC(C)c1cnn(-c2cccc(CC(C)c3cnn(-c4ccc(C(F)(F)F)cc4)c3)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.42
RXRA P19793 5/20 0.41
GRIN1 Q05586 5/20 0.41
GRIN2B Q13224 5/20 0.41
NTRK1 P04629 1/20 0.38
FLT3 P36888 1/20 0.38
HTR2A P28223 2/20 0.38
HTR2B P41595 2/20 0.38
HTR2C P28335 1/20 0.38
KCNT1 Q5JUK3 1/20 0.37
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CASR P41180 4/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
GRM4 Q14833 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL20746861 0.86 ROCK2 (0.40) RXRAGRIN1GRIN2BKCNT1RAB9A
SCHEMBL24908596 0.82 CASR (0.42) EPHX2NTRK1FLT3CASRGRM4
SCHEMBL27498530 0.80 EPHX2 (0.63) EPHX2RXRAGRIN1GRIN2BKCNT1
SCHEMBL21064022 0.74 RXRA (0.36) RXRAGRIN1GRIN2BNPC1RAB9A
SCHEMBL25015837 0.73 EPHX2 (0.54) EPHX2RXRAGRIN1GRIN2BKCNT1
SCHEMBL19865039 0.73 RXRA (0.32) RXRAGRIN1GRIN2BKCNT1
SCHEMBL21721710 0.73 L3MBTL1 (0.42) HTR2CMEN1KMT2ALMNAMAPT
SCHEMBL18878403 0.70 NPC1 (0.47) EPHX2RXRAGRIN1GRIN2BKCNT1
SCHEMBL12351974 0.69 GAA (0.53) HTR2BNPC1RAB9AGRM4MAPT
SCHEMBL22902068 0.68 NOTUM (0.50) NPSR1MEN1NPC1RAB9AKMT2A

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 EPHX2 3992/4885RXRA 1049/4885GRIN1 2596/4885

“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.