SCHEMBL29130000

SCHEMBL29130000

O=c1[nH]c2nccc(Br)c2o1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.49
PRKCI P41743 1/20 0.39
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
SYK P43405 3/20 0.32
AXL P30530 1/20 0.31
AURKA O14965 1/20 0.30
PARP1 P09874 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL30055673 1.00 DAO (0.49) DAOPRKCIPDE3BPDE3ASYK
SCHEMBL3631219 0.79 PDE3B (0.40) PDE3BPDE3ASYKAURKA
SCHEMBL23074721 0.78 DAO (0.33) DAOPDE3BPDE3ASYKAURKA
SCHEMBL958365 0.78 DAO (0.33) DAOPDE3BPDE3ASYKAURKA
SCHEMBL10298658 0.75 PDE3B (0.35) DAOPDE3BPDE3ASYK
SCHEMBL12615432 0.74 AURKA (0.37) DAOPDE3BPDE3ASYKAURKA
SCHEMBL12946990 0.74 PDE3B (0.33) DAOPDE3BPDE3ASYK
SCHEMBL4458348 0.67 AURKA (0.54) AURKA
SCHEMBL16919115 0.66 GFER (0.38) PDE3BPDE3AAURKAHTT
SCHEMBL341634 0.66 NOS1 (0.37) DAOPDE3BPDE3ASYKAURKA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239794-A1 PKC-Theta Modulators EXSCIENTIA AI LIMITED (GB) 2024-07-18 US disclosed
CN-117355522-A PKC-theta modulators 爱智药人工智能有限公司 2024-01-05 CN disclosed
CN-117295738-A PKC-theta modulators 爱智药人工智能有限公司 2023-12-26 CN 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-20240239794-A1 PKC-Theta Modulators PRKCQ, PRKCH, PRKCZ DAO 3203/4885PRKCI 8/4885PDE3B 207/4885

“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.