SCHEMBL729729

SCHEMBL729729

COC(=O)C=Cc1ccc2nccc(-c3ccncc3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.50
IP6K3 Q96PC2 1/20 0.50
IP6K2 Q9UHH9 1/20 0.50
PIK3CA P42336 4/20 0.49
PIK3CD O00329 1/20 0.49
GAK O14976 1/20 0.49
RPS6KA4 O75676 1/20 0.49
STK10 O94804 1/20 0.49
PIM1 P11309 1/20 0.49
CSNK2A2 P19784 1/20 0.49
MAP2K2 P36507 1/20 0.49
PIK3CB P42338 1/20 0.49
MTOR P42345 1/20 0.49
CSNK1D P48730 1/20 0.49
PIK3CG P48736 1/20 0.49
CLK1 P49759 1/20 0.49
CLK2 P49760 1/20 0.49
CSNK1G2 P78368 1/20 0.49
MAP2K1 Q02750 1/20 0.49
DYRK1A Q13627 1/20 0.49

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
SCHEMBL729728 1.00 IP6K1 (0.50) IP6K1IP6K3IP6K2PIK3CAPIK3CD
SCHEMBL22119797 0.79 LMNA (0.58) IP6K1IP6K3IP6K2KDM4EMAPT
SCHEMBL22120137 0.79 LMNA (0.58) IP6K1IP6K3IP6K2KDM4EMAPT
SCHEMBL30827802 0.76 PIK3CA (0.60) IP6K1PIK3CAPIK3CDGAKRPS6KA4
SCHEMBL732106 0.76 PIK3CA (0.60) IP6K1PIK3CAPIK3CDGAKRPS6KA4
SCHEMBL29245472 0.76 PIK3CA (0.51) PIK3CAPIK3CDGAKRPS6KA4STK10
SCHEMBL21473072 0.75 PIK3CA (0.50) IP6K1PIK3CAPIK3CDGAKRPS6KA4
SCHEMBL10398774 0.73 KDM4E (0.68) KDM4EMAPTTTRAPPPTPN1
SCHEMBL4683429 0.73 KDM4E (0.68) KDM4EMAPTTTRAPPPTPN1
SCHEMBL8865229 0.73 KDM4E (0.68) KDM4EMAPTTTRAPPPTPN1

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 15 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
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
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-2008144464-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 WO disclosed
WO-2008144463-A1 QUINOLINE DERIVATIVES AS PI3 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 IP6K1 217/4885IP6K3 63/4885IP6K2 248/4885
US-20140100234-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB IP6K1 116/4885IP6K3 55/4885IP6K2 94/4885
US-20100168100-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS JAK3, PI4KA, PIP4K2A IP6K1 217/4885IP6K3 63/4885IP6K2 248/4885
US-20120165321-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB IP6K1 116/4885IP6K3 55/4885IP6K2 94/4885
US-20140296224-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB IP6K1 116/4885IP6K3 55/4885IP6K2 94/4885
US-20080300239-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB IP6K1 116/4885IP6K3 55/4885IP6K2 94/4885

“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.