SCHEMBL31691968

SCHEMBL31691968

[2H]c1cc2[nH]nc(C)c2cn1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
MAP2K4 P45985 2/20 0.35
JAK2 O60674 2/20 0.32
IDO1 P14902 1/20 0.32
LRRK2 Q5S007 1/20 0.32
KDM4E B2RXH2 1/20 0.31
PDPK1 O15530 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
MKNK1 Q9BUB5 1/20 0.30
MAPK1 P28482 1/20 0.30
MAPKAPK2 P49137 1/20 0.30
MAPKAPK3 Q16644 1/20 0.30
MAPK6 Q16659 1/20 0.30
MAPKAPK5 Q8IW41 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
SCHEMBL254869 0.80 ACHE (0.46) CYP1A2ADORA2AADORA2BMAP2K4JAK2
SCHEMBL31539742 0.72 CYP1A2 (0.53) CYP1A2ADORA2AADORA2BMAP2K4JAK2
Furan SCHEMBL16857687 0.70 CYP1A2 (0.44) CYP1A2ADORA2AADORA2BMAP2K4JAK2
SCHEMBL29769133 0.69 MAP2K4 (0.57) CYP1A2ADORA2AADORA2BMAP2K4JAK2
SCHEMBL12222 0.69 MAP2K4 (0.57) CYP1A2ADORA2AADORA2BMAP2K4JAK2
SCHEMBL31692009 0.69 ATM (0.48) MAPK1
SCHEMBL130625 0.69 CYP1A2 (0.70) CYP1A2ADORA2AADORA2BIDO1LRRK2
SCHEMBL29557196 0.69 CYP1A2 (0.70) CYP1A2ADORA2AADORA2BIDO1LRRK2
SCHEMBL16417603 0.69 ADORA2A (0.42) CYP1A2ADORA2AADORA2B
SCHEMBL1344802 0.68 DYRK1A (0.43) CYP1A2ADORA2AADORA2BMAP2K4JAK2

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-20250304577-A1 TYK2 INHIBITORS BIOGEN MA INC. 2025-10-02 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-20250304577-A1 TYK2 INHIBITORS TYK2, JAK2, JAK1 CYP1A2 2380/4885ADORA2A 3773/4885ADORA2B 3764/4885

“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.