SCHEMBL21032273

SCHEMBL21032273

CNc1nc(Cl)nc2c1C(C)(C)CN2c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APP P05067 10/20 0.42
PSEN1 P49768 8/20 0.41
PSEN2 P49810 8/20 0.41
APH1B Q8WW43 8/20 0.41
NCSTN Q92542 8/20 0.41
APH1A Q96BI3 8/20 0.41
PSENEN Q9NZ42 8/20 0.41
YTHDC1 Q96MU7 2/20 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
SCHEMBL30748965 0.90 PSEN1 (0.41) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL19787521 0.87 APP (0.54) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL29801652 0.87 APP (0.54) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL19787528 0.82 APP (0.52) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL19787533 0.79 APP (0.51) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL19787598 0.77 APP (0.52) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL19787530 0.75 PSEN1 (0.52) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL22435549 0.73 KDM4E (0.51) YTHDC1
SCHEMBL30748721 0.73 CCNE2 (0.43) APP
SCHEMBL22915357 0.73 PSEN1 (0.60) APPPSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200291032-A1 PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-09-17 US disclosed
WO-2019101984-A1 PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2019-05-31 WO 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-20200291032-A1 PYRIMIDINE DERIVATIVES TYMS, DPYD, TYMP APP 3509/4885PSEN1 2977/4885PSEN2 2603/4885

“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.