SCHEMBL31051052

SCHEMBL31051052

CCn1ncc2c(O)nc(Cl)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
XDH P47989 1/20 0.39
PDE2A O00408 2/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
RECQL P46063 1/20 0.37
GAA P10253 1/20 0.37
NR3C1 P04150 5/20 0.36
MEN1 O00255 1/20 0.36
GMNN O75496 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL30095946 0.84 PDE2A (0.37) PDE2A
SCHEMBL30748211 0.83
SCHEMBL174858 0.83 XDH (0.41) ADORA3ADORA2AADORA1XDHMAPT
SCHEMBL2189832 0.83 ADORA3 (0.43) ADORA3ADORA2AADORA1XDHPDE2A
SCHEMBL30095693 0.83 PDE9A (0.43)
SCHEMBL29174819 0.83 PDE9A (0.43)
SCHEMBL25875949 0.81 ADORA3 (0.42) ADORA3ADORA2AADORA1XDHPDE2A
SCHEMBL29174854 0.78 ADORA2A (0.38) ADORA2AADORA1PDE2AGAAALDH1A1
SCHEMBL30748227 0.78 ADORA2A (0.38) ADORA2AADORA1PDE2AGAAALDH1A1
SCHEMBL24157327 0.78 ADORA3 (0.42) ADORA3ADORA2AADORA1XDHPDE2A

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-20240270750-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-08-15 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-20240270750-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE ALK, ACVR2B, ACVR2A ADORA3 2884/4885ADORA2A 3254/4885ADORA1 3027/4885

“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.