SCHEMBL3395456

SCHEMBL3395456

CC(C)(C)OC(=O)N1CCC(c2n[nH]c3c(C#N)cc(Br)cc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GPR119 Q8TDV5 11/20 0.42
CNR1 P21554 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
RET P07949 1/20 0.41
NSD2 O96028 1/20 0.40

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
SCHEMBL3391379 0.85 HPGDS (0.45) KDM4EMAPTTHRBHTTGPR119
SCHEMBL3395461 0.85 SCD5 (0.33)
SCHEMBL3395473 0.83 KDM4E (0.44) KDM4EMAPTTHRBHTTIDO1
SCHEMBL4664959 0.80 KDM4E (0.47) KDM4EMAPTTHRBHTTIDO1
SCHEMBL4664867 0.77 KDM4E (0.43) KDM4EMAPTTHRBHTTIDO1
SCHEMBL3395593 0.77 IKBKB (0.32) MAPTHTTCNR1JAK2JAK1
SCHEMBL29688763 0.76 KDM4E (0.48) KDM4EMAPTTHRBHTTIDO1
SCHEMBL20135394 0.76 KDM4E (0.48) KDM4EMAPTTHRBHTTIDO1
SCHEMBL3389162 0.74 PLAT (0.34)
SCHEMBL4665015 0.74 KDM4E (0.47) KDM4EMAPTTHRBHTTMEN1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501780-B2 Indazole carboxamides and their use GLAXOSMITHKLINE LLC (US) 2013-08-06 US disclosed
US-8501780-B2 Indazole carboxamides and their use GLAXOSMITHKLINE LLC (US) 2013-08-06 US disclosed
US-8501780-B2 Indazole carboxamides and their use GLAXOSMITHKLINE LLC (US) 2013-08-06 US disclosed
EP-1758578-B1 NOVEL INDAZOLE CARBOXAMIDES AND THEIR USE GLAXOSMITHKLINE LLC (US) 2010-12-29 EP disclosed
EP-1758578-B1 NOVEL INDAZOLE CARBOXAMIDES AND THEIR USE GLAXOSMITHKLINE LLC (US) 2010-12-29 EP disclosed
EP-1758578-A4 NOVEL INDAZOLE CARBOXAMIDES AND THEIR USE SMITHKLINE BEECHAM CORP (US) 2009-05-27 EP disclosed
US-20070281933-A1 Novel Indazole Carboxamides And Their Use SMITHKLINE BEECHAM CORPORATION (US) 2007-12-06 US disclosed
US-20070281933-A1 Novel Indazole Carboxamides And Their Use SMITHKLINE BEECHAM CORPORATION (US) 2007-12-06 US disclosed
US-20070281933-A1 Novel Indazole Carboxamides And Their Use SMITHKLINE BEECHAM CORPORATION (US) 2007-12-06 US disclosed
EP-1758578-A2 NOVEL INDAZOLE CARBOXAMIDES AND THEIR USE Smithkline Beecham Corporation (US) 2007-03-07 EP disclosed
WO-2006002434-A2 NOVEL INDAZOLE CARBOXAMIDES AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2006-01-05 WO 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-20070281933-A1 Novel Indazole Carboxamides And Their Use IKBKG, IRAK2, NFKBIA KDM4E 1036/4885MAPT 3416/4885THRB 3480/4885

“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.