SCHEMBL4334500

SCHEMBL4334500

COc1c(C(=O)O)ccc2c1c(-c1ccc3ccccc3c1)nn2C(C(N)=O)c1nccs1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.35
PIK3CD O00329 2/20 0.35
PIK3CA P42336 2/20 0.35
PIK3CB P42338 2/20 0.35
PIK3CG P48736 2/20 0.35
PRKDC P78527 2/20 0.35
ABL1 P00519 2/20 0.35
CTSA P10619 9/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 3/20 0.35
HTT P42858 3/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 1/20 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
SCHEMBL4335938 0.87 ECE1 (0.36) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4335815 0.86 PIK3CD (0.35) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL4331228 0.85 KDM4E (0.36) CTSAMEN1KMT2ANPC1RAB9A
SCHEMBL4348179 0.81 SRC (0.37) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4331815 0.79 JAK2 (0.37) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4331950 0.76 CTSA (0.37) CTSA
SCHEMBL4329361 0.74 CYP1A2 (0.37) SRCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4339893 0.73 ACLY (0.35) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL4341551 0.72 ALDH1A1 (0.37) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL4335958 0.72 PIK3CD (0.34) SRCPIK3CDPIK3CAPIK3CBPIK3CG

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 SRC 261/4885PIK3CD 2115/4885PIK3CA 2859/4885

“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.