SCHEMBL17584136

SCHEMBL17584136

Cc1nn(-c2ccc(C(N)=O)c3[nH]c(-c4ccccc4)nc23)c2c1CCC(C)(C)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.39
PARP1 P09874 7/20 0.38
BTK Q06187 1/20 0.35
PARP2 Q9UGN5 3/20 0.33
CHEK2 O96017 2/20 0.33
OPRM1 P35372 1/20 0.33
PLK4 O00444 1/20 0.33
MAPK13 O15264 1/20 0.33
DYRK3 O43781 1/20 0.33
ROCK2 O75116 1/20 0.33
RPS6KA5 O75582 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
PIM1 P11309 1/20 0.33
PHKG2 P15735 1/20 0.33
PRKACA P17612 1/20 0.33
RPS6KB1 P23443 1/20 0.33
CSNK1D P48730 1/20 0.33
CLK2 P49760 1/20 0.33
GSK3A P49840 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
SCHEMBL17584093 0.89 PARP1 (0.36) DHODHPARP1BTKCHEK2PLK4
SCHEMBL5005722 0.84 OPRM1 (0.51) OPRM1
SCHEMBL17584152 0.80 HSP90AB1 (0.35) PARP1BTKOPRM1
SCHEMBL5004994 0.77 HSP90AB1 (0.48) DHODHPARP1OPRM1
SCHEMBL17584087 0.77 HSP90AA1 (0.35) PARP1BTKOPRM1
SCHEMBL5009923 0.71 OPRM1 (0.52) OPRM1
SCHEMBL17584244 0.69 HSP90AB1 (0.39) BTK
SCHEMBL5005512 0.65 HSP90AB1 (0.51) OPRM1
SCHEMBL17583986 0.64 HSP90AA1 (0.62)
SCHEMBL5010057 0.64 OPRM1 (0.52) OPRM1

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
US-20190225587-A1 INDAZOLYL- AND INDOLYL-BENZAMIDE DERIVATIVES ESANEX, INC. 2019-07-25 US claimed
US-20160075662-A1 INDAZOLYL- AND INDOLYL-BENZAMIDE DERIVATIVES ESANEX, INC. 2016-03-17 US claimed
US-10246421-B2 Indazolyl- and indolyl-benzamide derivatives ESANEX, INC. (US) 2019-04-02 US disclosed
US-20160075662-A1 INDAZOLYL- AND INDOLYL-BENZAMIDE DERIVATIVES ESANEX, INC. 2016-03-17 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 (3 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-10246421-B2 Indazolyl- and indolyl-benzamide derivatives IDO2, MKI67, IDO1 DHODH 1151/4885PARP1 1221/4885BTK 83/4885
US-20190225587-A1 INDAZOLYL- AND INDOLYL-BENZAMIDE DERIVATIVES IDO2, MKI67, IDO1 DHODH 1151/4885PARP1 1221/4885BTK 83/4885
US-20160075662-A1 INDAZOLYL- AND INDOLYL-BENZAMIDE DERIVATIVES IDO2, MKI67, IDO1 DHODH 1151/4885PARP1 1221/4885BTK 83/4885

“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.