Sugi Predict

Sugi Predict / Compounds / SCHEMBL3602274

SCHEMBL3602274

SCHEMBL3602274

Cc1ccc2o[c]c(C)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.36
▸ HTT P42858 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ TP53 P04637 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ NQO1 P15559 1/20 0.35
▸ PRKDC P78527 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ ALPG P10696 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ KMT2A Q03164 1/20 0.33
▸ NR2E3 Q9Y5X4 1/20 0.33
▸ CSNK2A2 P19784 1/20 0.33
▸ CSNK2B P67870 1/20 0.33
▸ CSNK2A1 P68400 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
SCHEMBL4034664 0.83 MAOB (0.38) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL693617 0.79 GABRP (0.35) MAPTCYP3A4NQO1NPC1KMT2A
SCHEMBL3535803 0.79 AHR (0.41) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL3532152 0.76 ALDH1A1 (0.49) MAPTHTTALDH1A1KDM4ETP53
SCHEMBL4462775 0.76 KDM4E (0.35) MAPTHTTALDH1A1KDM4ETP53
SCHEMBL221025 0.73 CYP1A2 (0.36) MAPTHTTALDH1A1KDM4ECYP3A4
SCHEMBL9677330 0.70 KAT2B (0.40) MAPTHTTALDH1A1KDM4ETP53
SCHEMBL1610145 0.69 MAPT (0.50) MAPTHTTALDH1A1KDM4ETP53
SCHEMBL316967 0.68 MAPT (0.46) MAPTHTTALDH1A1KDM4ETP53
SCHEMBL3100971 0.67 MAPT (0.35) MAPTALDH1A1HPGDNPC1MAPK1

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592340-B2 Quinoxalines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-22 — — US claimed
JP-2007513184-A — — 2007-05-24 — — JP claimed
EP-1694671-A2 QUINOXALINES USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2006-08-30 — — EP claimed
US-20050234064-A1 Quinoxalines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2005-10-20 — — US claimed
WO-2005056547-A2 QUINOXALINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-06-23 — — WO claimed
EP-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 — — EP claimed
EP-1392657-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-03-10 — — EP claimed
EP-1392657-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2004-03-03 — — EP claimed
US-20040038965-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2004-02-26 — — US claimed
US-20040002487-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2004-01-01 — — US claimed
US-20030225061-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2003-12-04 — — US claimed
US-20030144175-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-07-31 — — US claimed
WO-2003053331-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-07-03 — — WO claimed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 — — EP claimed
US-20020147188-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-10 — — US claimed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 — — WO claimed
US-20100081657-A1 QUINOXALINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-01 — — US disclosed
US-7592340-B2 Quinoxalines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-22 — — US disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 — — WO disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 — — 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 (7 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-20040038965-A1 Protease inhibitors CTSK, CTSZ, CTSE MAPT 1704/4885HTT 1376/4885ALDH1A1 3561/4885
US-20030225061-A1 Protease inhibitors CTSK, MMP13, CTSZ MAPT 902/4885HTT 1209/4885ALDH1A1 3651/4885
US-20100081657-A1 QUINOXALINES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP4K2, MAP3K5 MAPT 1694/4885HTT 1330/4885ALDH1A1 4364/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ MAPT 902/4885HTT 1209/4885ALDH1A1 3651/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ MAPT 902/4885HTT 1209/4885ALDH1A1 3651/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ MAPT 902/4885HTT 1209/4885ALDH1A1 3651/4885
US-20050234064-A1 Quinoxalines useful as inhibitors of protein kinases MAP3K20, MAP4K2, MAP3K5 MAPT 1694/4885HTT 1330/4885ALDH1A1 4364/4885

“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.