SCHEMBL24908472

SCHEMBL24908472

COc1ccc(-n2cc(C(C)C)cn2)cn1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.43
CHRNB2 P17787 4/20 0.40
CHRNA4 P43681 4/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
OXTR P30559 9/20 0.35
NNMT P40261 1/20 0.34
AVPR1A P37288 4/20 0.34
AVPR2 P30518 1/20 0.34
SLC2A1 P11166 1/20 0.34
SLC2A3 P11169 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRL1 P41146 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
SCHEMBL24908473 0.81 RXRA (0.37)
SCHEMBL2609437 0.80 MAPKAPK2 (0.48) MEN1KMT2A
SCHEMBL31333825 0.78 CHRNB2 (0.41) OGACHRNB2CHRNA4MEN1KMT2A
SCHEMBL24921609 0.78 CHRNB2 (0.41) OGACHRNB2CHRNA4MEN1KMT2A
SCHEMBL18604507 0.78 CHRNB2 (0.41) OGACHRNB2CHRNA4MEN1KMT2A
SCHEMBL22902068 0.77 NOTUM (0.50) MEN1KMT2A
SCHEMBL14207203 0.76 HSP90AA1 (0.41)
SCHEMBL24908620 0.75 IRAK4 (0.36) OPRM1OPRL1
SCHEMBL18585975 0.75 CHRNB2 (0.39) OGACHRNB2CHRNA4MEN1KMT2A
SCHEMBL22831615 0.75 CHRNB2 (0.39) CHRNB2CHRNA4MEN1KMT2ACHRNB4

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 OGA 4203/4885CHRNB2 1029/4885CHRNA4 1100/4885

“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.