SCHEMBL23901575

SCHEMBL23901575

CCCOC1CCC(C(=O)NC(=O)c2ncn3c(C)cc(-c4cccnc4)nc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
CD38 P28907 1/20 0.38
POLB P06746 2/20 0.37
ABL1 P00519 3/20 0.37
GSK3B P49841 2/20 0.37
DYRK1A Q13627 2/20 0.37
CRHR1 P34998 1/20 0.36
CRHR2 Q13324 1/20 0.36
VCP P55072 1/20 0.35
ADORA2B P29275 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
ADORA2A P29274 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
SCHEMBL19438252 0.89 CD38 (0.47) CD38POLBDYRK1ACRHR1CRHR2
SCHEMBL19438251 0.89 CD38 (0.47) CD38POLBDYRK1ACRHR1CRHR2
SCHEMBL23901680 0.87 POLB (0.41) CD38POLBGSK3BDYRK1ACRHR1
SCHEMBL23901683 0.85 CD38 (0.35) KDM4ECD38POLBDYRK1ACRHR1
SCHEMBL19438270 0.80 CRHR1 (0.36) CD38POLBDYRK1ACRHR1CRHR2
SCHEMBL19449433 0.80 CRHR1 (0.36) CD38POLBDYRK1ACRHR1CRHR2
SCHEMBL19438269 0.80 CRHR1 (0.36) CD38POLBDYRK1ACRHR1CRHR2
SCHEMBL19438271 0.80 CRHR1 (0.36) CD38POLBDYRK1ACRHR1CRHR2
SCHEMBL19437790 0.79 CRHR1 (0.45) CD38DYRK1ACRHR1CRHR2
SCHEMBL19437792 0.79 CRHR1 (0.45) CD38DYRK1ACRHR1CRHR2

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 KDM4E 659/4885CD38 849/4885POLB 495/4885

“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.