SCHEMBL23901594

SCHEMBL23901594

Cc1cc(-c2cccnc2)nc2c(C(=O)NCCc3ccc(-c4ccco4)cn3)ncn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
NAMPT P43490 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
ADORA2A P29274 2/20 0.38
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 1/20 0.36
MAPT P10636 3/20 0.36
POLB P06746 2/20 0.36
USP2 O75604 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MCL1 Q07820 4/20 0.35
TP53 P04637 4/20 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
SCHEMBL22472769 0.88 ALDH1A1 (0.38) ALDH1A1KDM4EADORA2ARAB9ASMN1; SMN2
SCHEMBL22472758 0.85 MAPT (0.37) ALDH1A1KDM4ENAMPTADORA2ARAB9A
SCHEMBL23901523 0.85 ABCB1 (0.42) RAB9ASMN1; SMN2MCL1TP53
SCHEMBL23901684 0.82 CNR1 (0.38) ALDH1A1MAPK1MAPTNPSR1HSD17B10
SCHEMBL23901593 0.81 PTGIR (0.42) ALDH1A1KDM4ENAMPTRAB9ASMN1; SMN2
SCHEMBL22472754 0.79 KDM4E (0.39) ALDH1A1KDM4EADORA2ARAB9ASMN1; SMN2
SCHEMBL22472802 0.78 NPC1 (0.38) ALDH1A1KDM4EADORA2ARAB9ASMN1; SMN2
SCHEMBL21479246 0.77 MAPT (0.39) ALDH1A1KDM4ENAMPTCACNA1BAPBA1
SCHEMBL23901595 0.77 CRHR1 (0.38) ALDH1A1KDM4ENAMPTADORA2AMAPK1
SCHEMBL22472805 0.77 MAPT (0.42) KDM4EADORA2AMAPTNPSR1TP53

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 ALDH1A1 1121/4885KDM4E 659/4885NAMPT 171/4885

“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.