SCHEMBL4879465

SCHEMBL4879465

Cc1cc(-c2nc(-c3cccs3)n(O)c2-c2cnccn2)ccc1-c1ccnc2[nH]ccc12

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 4/20 0.37
MAPK14 Q16539 2/20 0.37
PRKCI P41743 5/20 0.37
PIK3C3 Q8NEB9 1/20 0.36
CIT O14578 3/20 0.35
JAK2 O60674 1/20 0.34
CCNK O75909 1/20 0.34
CDK12 Q9NYV4 1/20 0.34
CSNK1D P48730 1/20 0.34
MAPK11 Q15759 1/20 0.34
DCTPP1 Q9H773 1/20 0.34
AURKA O14965 2/20 0.34
AURKB Q96GD4 2/20 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
SCHEMBL4874273 0.90 NUDT1 (0.43) NUDT1MAPK14PRKCICITJAK2
SCHEMBL4872929 0.74 DCTPP1 (0.35) DCTPP1
SCHEMBL12127928 0.67 IKBKB (0.63) NUDT1PRKCIPIK3C3CITJAK2
SCHEMBL858198 0.66 AURKB (0.57) NUDT1PRKCIJAK2CCNKCDK12
SCHEMBL29946359 0.66 AURKB (0.57) NUDT1PRKCIJAK2CCNKCDK12
SCHEMBL4876533 0.66 MAPT (0.33)
SCHEMBL12127486 0.64 IGF1R (0.55) NUDT1MAPK14PRKCIJAK2CCNK
SCHEMBL3576055 0.63 CIT (0.53) NUDT1PRKCIPIK3C3CITJAK2
SCHEMBL4869275 0.62 CCNK (0.44) MAPK14PRKCICITJAK2CCNK
SCHEMBL17594319 0.62 WNT1 (0.54)

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-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER INC 2008-04-17 US claimed

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-20080090834-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PDE5A, PDE3B, PDE12 NUDT1 1125/4885MAPK14 2249/4885PRKCI 657/4885

“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.