SCHEMBL24908613

SCHEMBL24908613

CC(C)c1cnn(-c2ccc(C#N)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
CYP19A1 P11511 5/20 0.40
CREBBP Q92793 1/20 0.38
PANK3 Q9H999 1/20 0.38
EP300 Q09472 2/20 0.37
MAPKAPK2 P49137 1/20 0.37
CYP11B2 P19099 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP11B1 P15538 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
CACNA1H O95180 1/20 0.36
MTOR P42345 1/20 0.36
KCNJ1 P48048 1/20 0.35

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) NOTUMMTOR
SCHEMBL24908424 0.82 GRM5 (0.54) NOTUMIRAK4CREBBPKCNJ1
SCHEMBL24908620 0.80 IRAK4 (0.36) IRAK4PANK3EP300MTOR
SCHEMBL24908618 0.80 KDM4E (0.49) IRAK4CYP19A1PANK3CYP11B2CYP3A4
SCHEMBL26051361 0.80 MAPT (0.42) NOTUMMTOR
SCHEMBL15119356 0.78 KDM5B (0.43) NOTUMMTOR
SCHEMBL1159675 0.78 ALDH1A1 (0.47) NOTUMCYP19A1EP300MAPKAPK2CYP11B2
SCHEMBL12351974 0.78 GAA (0.53)
SCHEMBL24908614 0.77 CYP11B1 (0.42) CYP11B2CYP11B1CACNA1H
SCHEMBL19531652 0.76 MELK (0.42) NOTUMCREBBPMTOR

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 NOTUM 2481/4885IRAK4 439/4885CYP19A1 169/4885

“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.