SCHEMBL31097199

SCHEMBL31097199

[2H]C([2H])([2H])n1ncc2cc(CN)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.44
TCF7 P36402 1/20 0.44
MPO P05164 1/20 0.41
KDM1A O60341 1/20 0.38
CCNC P24863 1/20 0.36
HTR2A P28223 1/20 0.36
CDK8 P49336 1/20 0.36
PASK Q96RG2 1/20 0.36
CDK19 Q9BWU1 1/20 0.36
CACNA1H O95180 6/20 0.36
DRD4 P21917 3/20 0.36
SIGMAR1 Q99720 2/20 0.36
TMEM97 Q5BJF2 1/20 0.36
CDC7 O00311 1/20 0.35
TRPM5 Q9NZQ8 1/20 0.35
TGFBR1 P36897 1/20 0.35
VNN1 O95497 1/20 0.35
ROCK1 Q13464 1/20 0.35
CYP2A6 P11509 1/20 0.34
TRPA1 O75762 1/20 0.34

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
SCHEMBL904751 0.88 CTNNB1 (0.54) CTNNB1TCF7MPOKDM1ACCNC
SCHEMBL29728749 0.88 CTNNB1 (0.54) CTNNB1TCF7MPOKDM1ACCNC
SCHEMBL29585470 0.76 MPO (0.49) CTNNB1TCF7MPOKDM1ACCNC
SCHEMBL904805 0.76 MPO (0.49) CTNNB1TCF7MPOKDM1ACCNC
SCHEMBL904745 0.75 HTR2A (0.43) CTNNB1TCF7HTR2ACACNA1H
SCHEMBL13476250 0.75 CTNNB1 (0.58) CTNNB1TCF7MPOCCNCHTR2A
SCHEMBL31638220 0.75 CTNNB1 (0.58) CTNNB1TCF7MPOCCNCHTR2A
SCHEMBL30855622 0.75 EGFR (0.38) CTNNB1TCF7HTR2ACDC7TRPM5
SCHEMBL6340738 0.73 CTNNB1 (0.56) CTNNB1TCF7MPOKDM1ACCNC
SCHEMBL8179108 0.73 CTNNB1 (0.55) CTNNB1TCF7MPOCCNCHTR2A

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-20240294498-A1 FACTOR XIIA INHIBITORS LUNAC THERAPEUTICS LTD (GB) 2024-09-05 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-20240294498-A1 FACTOR XIIA INHIBITORS F11, F13B, F7 CTNNB1 4363/4885TCF7 286/4885MPO 608/4885

“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.