SCHEMBL23901590

SCHEMBL23901590

COCC#Cc1ccc(CCNC(=O)c2ncn3c(C)cc(-c4cccnc4)nc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.40
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.37
PTGDR Q13258 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 3/20 0.35
ADORA2B P29275 1/20 0.35
POLB P06746 2/20 0.34
PTGIR P43119 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ACACB O00763 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL22472776 0.85 ALDH1A1 (0.41) TP53CA12CA1CA2CA9
SCHEMBL23901592 0.83 KMT2A (0.44) TP53KMT2AMAPK1PTGDRMAPT
SCHEMBL23901676 0.82 TRPV1 (0.43) TP53KMT2AMAPK1MAPTMEN1
SCHEMBL22472773 0.82 CA12 (0.41) TP53CA12CA1CA2CA9
SCHEMBL23901593 0.80 PTGIR (0.42) TP53KMT2APTGDRCA12CA1
SCHEMBL23901678 0.79 LMNA (0.38) TP53MAPK1POLBPTGIRRAB9A
SCHEMBL22472751 0.77 APOBEC3A (0.43) TP53KMT2ACA12CA1CA2
SCHEMBL23901682 0.76 CRHR1 (0.44) TP53
SCHEMBL22472791 0.74 ACACB (0.39) TP53CA12CA1CA2CA9
SCHEMBL19449609 0.73 DYRK1A (0.47) KMT2AMAPK1MEN1KDM4E

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 TP53 3352/4885KMT2A 290/4885MAPK1 4176/4885

“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.