SCHEMBL23901679

SCHEMBL23901679

CCCOC1CCC(CCNC(=O)c2ncn3c(C)cc(C4CCOCC4)nc23)CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 5/20 0.34
ADORA2A P29274 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
CNR2 P34972 1/20 0.33
OPRL1 P41146 1/20 0.33
IRAK4 Q9NWZ3 3/20 0.32
BRD4 O60885 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 1/20 0.32
CD38 P28907 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL23901521 0.90 CD38 (0.39) CD38
SCHEMBL23901680 0.80 POLB (0.41) CD38KMT2A
SCHEMBL23901677 0.74 L3MBTL1 (0.45) IRAK4KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL23901674 0.73 LMNA (0.38) CNR2IRAK4HSD17B10ALDH1A1KMT2A
SCHEMBL23901467 0.73 IRAK4 (0.34) RAF1PIK3CDPIK3CBPIK3CGCNR2
SCHEMBL23901519 0.71 KDM4E (0.42) ADORA2ACNR2KDM4EHSD17B10CD38
SCHEMBL19451990 0.70 CD38 (0.40) CNR2CD38MEN1ALDH1A1KMT2A
SCHEMBL21460989 0.70 CD38 (0.40) CNR2CD38MEN1ALDH1A1KMT2A
SCHEMBL19629454 0.70 CD38 (0.41) KDM4ECD38ALDH1A1
SCHEMBL25578833 0.70 CD38 (0.41) KDM4ECD38ALDH1A1

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-20210309661-A1 IMIDAZO[1,5-a]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - R&D INVESTMENTS, S.A. (PT) 2021-10-07 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-20210309661-A1 IMIDAZO[1,5-a]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GAA, GBA2 RAF1 4065/4885ADORA2A 706/4885PIK3CD 561/4885

“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.