SCHEMBL23901592

SCHEMBL23901592

Cc1cc(-c2cccnc2)nc2c(C(=O)NCCc3ccc(OC(C)C)cc3)ncn12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.42
HPGD P15428 1/20 0.42
TP53 P04637 5/20 0.42
PTGDR Q13258 1/20 0.41
TBXAS1 P24557 1/20 0.40
PTAFR P25105 1/20 0.40
ACACB O00763 1/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.37
WNT1 P04628 1/20 0.37
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
DYRK1A Q13627 1/20 0.37
MAPK1 P28482 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2B P29275 1/20 0.37

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
SCHEMBL23901676 0.85 TRPV1 (0.43) KMT2AHPGDTP53MAPTLMNA
SCHEMBL23901593 0.83 PTGIR (0.42) KMT2ATP53PTGDRMAPTNPC1
SCHEMBL23901590 0.83 TP53 (0.40) KMT2APOLBTP53PTGDRACACB
SCHEMBL23901678 0.82 LMNA (0.38) POLBHPGDTP53TBXAS1RAB9A
SCHEMBL23901682 0.78 CRHR1 (0.44) TP53LMNAWNT1DYRK1A
SCHEMBL23901677 0.78 L3MBTL1 (0.45) HPGDTP53ACACBMAPTNPC1
SCHEMBL19438315 0.76 RIPK1 (0.43) MAPTDYRK1A
SCHEMBL19438317 0.76 RIPK1 (0.43) MAPTDYRK1A
SCHEMBL19449609 0.76 DYRK1A (0.47) KMT2AHPGDLMNADYRK1AMAPK1
SCHEMBL23901594 0.75 ALDH1A1 (0.42) POLBHPGDTP53MAPTRAB9A

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 KMT2A 290/4885POLB 495/4885HPGD 2135/4885

“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.