SCHEMBL27202058

SCHEMBL27202058

COc1ccc(-c2ccnnc2C(N)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 2/20 0.49
▸ CHEK2 O96017 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPKAPK2 P49137 2/20 0.46
▸ PARP10 Q53GL7 2/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ PARP1 P09874 1/20 0.46
▸ PARP2 Q9UGN5 1/20 0.46
▸ PARP4 Q9UKK3 1/20 0.46
▸ CASP1 P29466 1/20 0.45
▸ MAP4K4 O95819 2/20 0.44
▸ GRM2 Q14416 1/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ FGFR2 P21802 1/20 0.43
▸ FGFR4 P22455 1/20 0.43
▸ FGFR3 P22607 1/20 0.43
▸ BACE1 P56817 1/20 0.42

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
SCHEMBL31033122 0.79 BCAT2 (0.47) IKBKBCHEK2ALDH1A1PARP1CASP1
SCHEMBL28161275 0.79 MKNK1 (0.51) IKBKBCHEK2ALDH1A1GAAMAPKAPK2
SCHEMBL14484701 0.72 MAPT (0.46) CA1CA2CASP1KDM4E
SCHEMBL1758349 0.70 SLC22A12 (0.53) IKBKBCHEK2MAPKAPK2PARP10CA1
SCHEMBL5224988 0.69 ALDH1A1 (0.54) ALDH1A1BACE1KDM4E
SCHEMBL14485093 0.69 KDM4E (0.47) ALDH1A1GAAMAPKAPK2KDM4ECYP1A2
SCHEMBL28228827 0.69 GRM2 (0.48) IKBKBCHEK2ALDH1A1PARP1MAP4K4
SCHEMBL14154661 0.69 ALDH1A1 (0.49) IKBKBALDH1A1GAAMAPKAPK2PARP10
SCHEMBL4963646 0.68 BCAT2 (0.65) GAAPARP10CA1CA2PARP1
SCHEMBL29272817 0.68 SMN1; SMN2 (0.73) IKBKBCHEK2ALDH1A1GAAPARP10

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-20240132431-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-04-25 — — 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-20240132431-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP MGMT, MCL1, FANCF IKBKB 1966/4885CHEK2 1007/4885ALDH1A1 446/4885

“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.

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