SCHEMBL4335815

SCHEMBL4335815

COc1c(C(=O)O)ccc2c1c(-c1cc3ccccc3s1)nn2C(C(N)=O)c1nccs1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
PRKDC P78527 1/20 0.35
ACLY P53396 1/20 0.34
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
IKBKB O14920 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
TNFRSF1A P19438 1/20 0.32
CTSA P10619 7/20 0.32
ALOX5 P09917 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
FYN P06241 1/20 0.32
PLAU P00749 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
SCHEMBL4339893 0.87 ACLY (0.35) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL4334500 0.86 SRC (0.35) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL4331228 0.84 KDM4E (0.36) JAK2JAK3MEN1NPC1RAB9A
SCHEMBL4334931 0.82 ACLY (0.37) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL4332922 0.81 JAK2 (0.39) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL4335926 0.75 IKBKB (0.35) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL4332589 0.74 ACLY (0.33) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL4335938 0.73 ECE1 (0.36) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL4341551 0.71 ALDH1A1 (0.37) JAK2JAK3MEN1NPC1RAB9A
SCHEMBL4331950 0.69 CTSA (0.37) CTSA

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 PIK3CD 2115/4885PIK3CA 2859/4885PIK3CB 2010/4885

“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.