Sugi Predict

Sugi Predict / Compounds / SCHEMBL731409

SCHEMBL731409

SCHEMBL731409

Cc1cc(Br)cc2c(O)ccnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 6/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ CCR1 P32246 3/20 0.39
▸ CCR8 P51685 3/20 0.39
▸ CCR5 P51681 2/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ TDP1 Q9NUW8 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ TP53 P04637 2/20 0.39
▸ NQO2 P16083 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ DHODH Q02127 1/20 0.37
▸ LMNA P02545 3/20 0.35
▸ PRNP P04156 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ NOD2 Q9HC29 1/20 0.35

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
SCHEMBL20600750 0.83 CCR1 (0.54) HTTSLC6A2CCR1CCR8CCR5
SCHEMBL29847528 0.83 CCR1 (0.54) HTTSLC6A2CCR1CCR8CCR5
SCHEMBL730007 0.79 CCR1 (0.39) HTTSLC6A2CCR1CCR8CCR5
SCHEMBL21494370 0.79 KDM4E (0.40) HTTSLC6A2KDM4EMEN1KMT2A
SCHEMBL2171980 0.79 HTT (0.40) HTTSLC6A2CCR1CCR8CCR5
SCHEMBL2171979 0.79 HTT (0.40) HTTSLC6A2CCR1CCR8CCR5
SCHEMBL3369067 0.79 CCR1 (0.48) HTTSLC6A2CCR1CCR8CCR5
SCHEMBL442160 0.79 NR4A2 (0.40) CCR1CCR8CCR5KDM4EMEN1
SCHEMBL24916490 0.78 NQO2 (0.43) HTTKDM4EMEN1KMT2ATDP1
SCHEMBL29923489 0.78 NQO2 (0.43) HTTKDM4EMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2596793-B1 Quinoline derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2015-07-08 — — EP disclosed
US-20140296224-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2014-10-02 — — US disclosed
US-8785433-B2 Quinoline derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2014-07-22 — — US disclosed
US-20140100234-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-04-10 — — US disclosed
US-8633187-B2 Quinoline derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2014-01-21 — — US disclosed
CN-101754759-B Quinoline derivatives as PI3 kinase inhibitors SMITHKLINE BEECHAM CORP 2013-10-09 — — CN disclosed
EP-2596793-A1 Quinoline derivatives as PI3 kinase inhibitors Glaxosmithkline LLC (US) 2013-05-29 — — EP disclosed
US-8404837-B2 Quinoline derivatives as P13 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2013-03-26 — — US disclosed
US-20120165321-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2012-06-28 — — US disclosed
US-8138347-B2 Quinoline derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-03-20 — — US disclosed
US-20100168100-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2010-07-01 — — US disclosed
CN-101754759-A Quinoline derivatives as PI3 kinase inhibitors SMITHKLINE BEECHAM CORP 2010-06-23 — — CN disclosed
US-20100152112-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2010-06-17 — — US disclosed
EP-2192902-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-06-09 — — EP disclosed
US-20080300239-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2008-12-04 — — US disclosed
WO-2008144463-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 — — WO disclosed
WO-2008144464-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 — — 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 (6 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-20100152112-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS JAK3, PI4KA, PIP4K2A HTT 1564/4885SLC6A2 2228/4885CCR1 3279/4885
US-20140100234-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB HTT 1193/4885SLC6A2 1352/4885CCR1 3234/4885
US-20100168100-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS JAK3, PI4KA, PIP4K2A HTT 1564/4885SLC6A2 2228/4885CCR1 3279/4885
US-20120165321-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB HTT 1193/4885SLC6A2 1352/4885CCR1 3234/4885
US-20140296224-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB HTT 1193/4885SLC6A2 1352/4885CCR1 3234/4885
US-20080300239-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB HTT 1193/4885SLC6A2 1352/4885CCR1 3234/4885

“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.