SCHEMBL23901580

SCHEMBL23901580

Cc1cc(Cl)nc2c(C(=O)NC(c3cccs3)C(F)(F)F)ncn12

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.33
ALOX12 P18054 2/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
PDE2A O00408 3/20 0.31
SLC6A9 P48067 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
IDO1 P14902 2/20 0.30
TDO2 P48775 2/20 0.30
KDM4E B2RXH2 1/20 0.30
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL23901685 0.83 AHR (0.35) PKMALDH1A1POLBMAPTHPGD
SCHEMBL23901681 0.82 PIM1 (0.33) PDE2ANPSR1CNR2
SCHEMBL19437864 0.82 KCNK3 (0.37) PDE2ACNR1CNR2
SCHEMBL19438019 0.80 GSK3B (0.38) KDM4E
SCHEMBL19438275 0.80 GSK3B (0.38) KDM4E
SCHEMBL19438020 0.80 GSK3B (0.38) KDM4E
SCHEMBL19437920 0.75 ULK1 (0.35) PDE2A
SCHEMBL19438108 0.75 ULK1 (0.35) PDE2A
SCHEMBL19437919 0.75 ULK1 (0.35) PDE2A
SCHEMBL19437811 0.72 CNR1 (0.39) ALDH1A1POLBMAPTCNR1CNR2

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 PKM 227/4885ALOX12 2301/4885ALDH1A1 1121/4885

“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.