SCHEMBL5634010

SCHEMBL5634010

O=C(c1cnc(Nc2ccncc2)s1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 12/20 0.57
MAPK12 P53778 12/20 0.57
MAPK11 Q15759 12/20 0.57
MAPK14 Q16539 12/20 0.57
GAA P10253 1/20 0.54
HTT P42858 1/20 0.54
NCOA1 Q15788 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NCOA3 Q9Y6Q9 1/20 0.54
CCNK O75909 1/20 0.48
CDK1 P06493 1/20 0.48
CDK4 P11802 1/20 0.48
CCNB1 P14635 1/20 0.48
CCNA2 P20248 1/20 0.48
CCND1 P24385 1/20 0.48
CCNE1 P24864 1/20 0.48
CDK2 P24941 1/20 0.48
GSK3B P49841 1/20 0.48
CDK9 P50750 1/20 0.48
CCNA1 P78396 1/20 0.48

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
SCHEMBL5634175 0.81 MAPK14 (0.60) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL5634588 0.80 MAPK13 (0.60) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5633790 0.80 MAPK13 (0.62) MAPK13MAPK12MAPK11MAPK14RAB9A
SCHEMBL5635009 0.80 MAPK13 (0.60) MAPK13MAPK12MAPK11MAPK14
SCHEMBL6469458 0.78 SMN1; SMN2 (0.46) MAPK13MAPK12MAPK11MAPK14GAA
SCHEMBL5555188 0.76 MAPK13 (0.60) MAPK13MAPK12MAPK11MAPK14GAA
Aniline SCHEMBL27477022 0.74 MAPK14 (0.48) MAPK13MAPK12MAPK11MAPK14CCNK
SCHEMBL2470790 0.73 MAPK13 (0.47) MAPK13MAPK12MAPK11MAPK14GAA
SCHEMBL5634021 0.72 MAPK13 (0.65) MAPK13MAPK12MAPK11MAPK14NCOA1
SCHEMBL5634446 0.72 RAB9A (0.54) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100381429-C Thiazole derivatives HOFFMANN LA ROCHE (CH) 2008-04-16 CN disclosed
US-7253197-B2 Aminothiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
CN-1675188-A Thiazole derivatives HOFFMANN LA ROCHE (CH) 2005-09-28 CN disclosed
US-20040038990-A1 Aminothiazole derivatives HOFFMANN-LA ROCHE INC. 2004-02-26 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-20040038990-A1 Aminothiazole derivatives FABP4, GPR119, ABAT MAPK13 3018/4885MAPK12 2608/4885MAPK11 2347/4885

“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.