SCHEMBL23901683

SCHEMBL23901683

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.35
AHR P35869 1/20 0.35
POLB P06746 1/20 0.35
DYRK1A Q13627 6/20 0.35
WNT1 P04628 3/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
REN P00797 2/20 0.34
CRHR1 P34998 1/20 0.34
CRHR2 Q13324 1/20 0.34
CXCR2 P25025 1/20 0.34
LMNA P02545 2/20 0.33
MAPK1 P28482 2/20 0.33
HSD17B10 Q99714 1/20 0.33
HCRTR2 O43614 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
SCHEMBL19437868 0.91 AHR (0.37) AHRDYRK1AWNT1ALDH1A1KDM4E
SCHEMBL23901573 0.88 DYRK1A (0.37) AHRDYRK1AWNT1ALDH1A1KDM4E
SCHEMBL19438252 0.85 CD38 (0.47) CD38POLBDYRK1AWNT1CRHR1
SCHEMBL19438251 0.85 CD38 (0.47) CD38POLBDYRK1AWNT1CRHR1
SCHEMBL23901575 0.85 KDM4E (0.39) CD38POLBDYRK1AALDH1A1KDM4E
SCHEMBL23901581 0.84 ACACB (0.32) MAPK1
SCHEMBL23901680 0.84 POLB (0.41) CD38POLBDYRK1AWNT1CRHR1
SCHEMBL19449374 0.80 CRHR1 (0.37) AHRDYRK1AWNT1ALDH1A1KDM4E
SCHEMBL19438317 0.80 RIPK1 (0.43) DYRK1AALDH1A1KDM4ECRHR1CRHR2
SCHEMBL19438315 0.80 RIPK1 (0.43) DYRK1AALDH1A1KDM4ECRHR1CRHR2

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 CD38 849/4885AHR 1072/4885POLB 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.