Sugi Predict

Sugi Predict / Compounds / SCHEMBL619197

SCHEMBL619197

SCHEMBL619197

CCOC(=O)c1cc(Br)cc2c(C3CCSC(c4ccccc4)C3)cn(C(=O)OC(C)(C)C)c12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.39
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TP53 P04637 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ LMNA P02545 3/20 0.34
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ GPR119 Q8TDV5 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
SCHEMBL2782266 0.90 BRD4 (0.41) BRD4ALDH1A1KDM4ELMNAGAA
SCHEMBL10211419 0.90 RORC (0.33) BRD4TP53MAPT
SCHEMBL620808 0.85 ALDH1A1 (0.33) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL622408 0.84 ALDH1A1 (0.37) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL621703 0.84 HPGD (0.36) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL621704 0.84 MEN1 (0.36) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL621735 0.82 ALDH1A1 (0.36) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL618369 0.81 ALDH1A1 (0.37) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL620930 0.80 ALDH1A1 (0.34) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL621965 0.79 ALDH1A1 (0.35) MEN1KMT2AHPGDALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372875-B2 Indole carboxamides as IKK2 inhibitors GlaxoSmithKline, LLC (US) 2013-02-12 — — US disclosed
US-8372875-B2 Indole carboxamides as IKK2 inhibitors GlaxoSmithKline, LLC (US) 2013-02-12 — — US disclosed
US-20120040958-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2012-02-16 — — US disclosed
US-8071584-B2 Indole carboxamides as IKK2 inhibitors GLAXOSMITHKLINE LLC (US) 2011-12-06 — — US disclosed
US-8071584-B2 Indole carboxamides as IKK2 inhibitors GLAXOSMITHKLINE LLC (US) 2011-12-06 — — US disclosed
US-8071584-B2 Indole carboxamides as IKK2 inhibitors GLAXOSMITHKLINE LLC (US) 2011-12-06 — — US disclosed
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2010-05-27 — — US disclosed
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2010-05-27 — — US disclosed
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS GLAXOSMITHKLINE LLC 2010-05-27 — — US disclosed
WO-2008118724-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-02 — — 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 (2 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-20120040958-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS IDO2, IDO1, NFKBIA BRD4 146/4885MEN1 3586/4885KMT2A 371/4885
US-20100130468-A1 INDOLE CARBOXAMIDES AS IKK2 INHIBITORS IDO2, IDO1, NFKBIA BRD4 149/4885MEN1 3624/4885KMT2A 398/4885

“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.