SCHEMBL24908424

SCHEMBL24908424

CC(C)c1cnn(-c2cccc(C#N)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.54
NOTUM Q6P988 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.40
DRD2 P14416 2/20 0.40
DRD3 P35462 1/20 0.40
CREBBP Q92793 1/20 0.40
KCNJ1 P48048 1/20 0.39
NSD2 O96028 1/20 0.39
PLK1 P53350 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL31517416 0.84 GRM5 (0.48) GRM5NOTUMCREBBPKCNJ1
SCHEMBL24913265 0.83 GRM5 (0.45) GRM5NOTUMCREBBP
SCHEMBL24908613 0.82 NOTUM (0.41) NOTUMIRAK4CREBBPKCNJ1
SCHEMBL3921645 0.78 GRM5 (0.58) GRM5NOTUMIRAK4DRD2DRD3
SCHEMBL18878403 0.78 NPC1 (0.47) NOTUM
SCHEMBL21775969 0.78 EPHX2 (0.46)
SCHEMBL2609427 0.78 KDM5B (0.48) NOTUM
SCHEMBL14328380 0.77 NOTUM (0.48) NOTUM
SCHEMBL12351974 0.76 GAA (0.53) DRD2DRD3
SCHEMBL19902102 0.75 GRM5 (0.70) GRM5NOTUMIRAK4DRD2DRD3

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 GRM5 2512/4885NOTUM 2481/4885IRAK4 439/4885

“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.