SCHEMBL4339893

SCHEMBL4339893

COc1c(C(=O)O)ccc2c1c(-c1cc3ccccc3s1)nn2C(C(N)=O)c1cccs1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 2/20 0.35
ALOX5 P09917 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
PLAU P00749 2/20 0.34
IKBKB O14920 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
PRKDC P78527 1/20 0.34
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
TNFRSF1A P19438 3/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31

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
SCHEMBL4335926 0.88 IKBKB (0.35) ACLYALOX5PTGS1PTGS2PLAU
SCHEMBL4335815 0.87 PIK3CD (0.35) ACLYALOX5PTGS1PTGS2PLAU
SCHEMBL4335938 0.85 ECE1 (0.36) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL4334931 0.83 ACLY (0.37) ACLYALOX5PTGS1PTGS2PLAU
SCHEMBL4341551 0.83 ALDH1A1 (0.37) PLAUJAK2JAK3
SCHEMBL4332922 0.82 JAK2 (0.39) ACLYALOX5PTGS1PTGS2PLAU
SCHEMBL4332589 0.75 ACLY (0.33) ACLYALOX5PTGS1PTGS2PLAU
SCHEMBL6426258 0.73 RECQL (0.31)
SCHEMBL4334500 0.73 SRC (0.35) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL4329361 0.72 CYP1A2 (0.37) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
US-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 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-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 ACLY 2587/4885ALOX5 3852/4885PTGS1 1732/4885

“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.