SCHEMBL729472

SCHEMBL729472

O=C1CCc2cc(-c3ccc4nccc(-c5ccncc5)c4c3)ccc2N1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.54
PDE3B Q13370 5/20 0.53
PDE3A Q14432 5/20 0.53
CYP11B1 P15538 3/20 0.53
CYP11B2 P19099 3/20 0.53
CYP2C9 P11712 2/20 0.53
CYP1A2 P05177 2/20 0.53
TBXAS1 P24557 2/20 0.53
AKT1 P31749 3/20 0.51
KIF11 P52732 1/20 0.50
PIK3CD O00329 1/20 0.48
GAK O14976 1/20 0.48
RPS6KA4 O75676 1/20 0.48
STK10 O94804 1/20 0.48
PIM1 P11309 1/20 0.48
CSNK2A2 P19784 1/20 0.48
MAP2K2 P36507 1/20 0.48
PIK3CB P42338 1/20 0.48
MTOR P42345 1/20 0.48
CSNK1D P48730 1/20 0.48

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
SCHEMBL729512 0.89 PDE3B (0.69) PIK3CAPDE3BPDE3ACYP11B1CYP11B2
SCHEMBL730152 0.86 PIK3CA (0.55) PIK3CAPDE3BPDE3ACYP11B1CYP11B2
SCHEMBL13351427 0.83 PIK3CA (0.59) PIK3CAPDE3BPDE3AAKT1PIK3CD
SCHEMBL731334 0.82 PIK3CA (0.59) PIK3CAPDE3BPDE3ACYP11B1CYP11B2
SCHEMBL22159822 0.79 DPP4 (0.53) PDE3BPDE3ACYP11B1CYP11B2CYP2C9
SCHEMBL729473 0.78 CYP11B1 (0.55) PDE3BPDE3ACYP11B1CYP11B2CYP2C9
SCHEMBL730195 0.78 PIK3CA (0.84) PIK3CAAKT1PIK3CDGAKRPS6KA4
SCHEMBL731777 0.78 PIK3CA (0.55) PIK3CAAKT1PIK3CDGAKRPS6KA4
SCHEMBL730188 0.76 PIK3CA (0.87) PIK3CAAKT1PIK3CDGAKRPS6KA4
SCHEMBL730358 0.74 PIK3CA (0.53) PIK3CAPDE3BPDE3AAKT1PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140296224-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2014-10-02 US claimed
US-8404837-B2 Quinoline derivatives as P13 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2013-03-26 US claimed
EP-2596793-B1 Quinoline derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2015-07-08 EP disclosed
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-20140296224-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2014-10-02 US 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-8785433-B2 Quinoline derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2014-07-22 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-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
US-20080300239-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2008-12-04 US 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-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
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 (4 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 PIK3CA 13/4885PDE3B 65/4885PDE3A 145/4885
US-20140100234-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB PIK3CA 6/4885PDE3B 102/4885PDE3A 294/4885
US-20140296224-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB PIK3CA 6/4885PDE3B 102/4885PDE3A 294/4885
US-20080300239-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB PIK3CA 6/4885PDE3B 102/4885PDE3A 294/4885

“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.