SCHEMBL4335938

SCHEMBL4335938

COc1c(C(=O)O)ccc2c1c(-c1ccc3ccccc3c1)nn2C(C(N)=O)c1cccs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
SOS1 Q07889 1/20 0.35
HIF1A Q16665 1/20 0.35
SRC P12931 6/20 0.35
ABL1 P00519 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
PTGER1 P34995 2/20 0.34
PTGER4 P35408 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
RIPK2 O43353 1/20 0.33

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
SCHEMBL4329361 0.87 CYP1A2 (0.37) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL4334500 0.87 SRC (0.35) ECE1CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL4339893 0.85 ACLY (0.35) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL4341551 0.85 ALDH1A1 (0.37) CYP1A2CYP2C9TSHRCYP2C19ALDH1A1
SCHEMBL4348179 0.82 SRC (0.37) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL4331815 0.80 JAK2 (0.37) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL4346820 0.75 PTGER1 (0.40) PTGER1ALDH1A1KDM4E
SCHEMBL6426258 0.74 RECQL (0.31)
SCHEMBL4335958 0.73 PIK3CD (0.34) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL4335815 0.73 PIK3CD (0.35) 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 ECE1 1332/4885CYP1A2 379/4885CYP2D6 949/4885

“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.