SCHEMBL4411225

SCHEMBL4411225

Cc1cccc2cc(C(C)Nc3ncnc4[nH]cc(C#N)c34)n(-c3ccccc3)c(=O)c12

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 0.55
PIK3CG P48736 11/20 0.55
PIK3R1 P27986 7/20 0.55
PIK3CB P42338 6/20 0.55
PIK3CA P42336 5/20 0.55
ABCB11 O95342 1/20 0.55
TBXA2R P21731 1/20 0.55
HTR2A P28223 1/20 0.55
PDE3A Q14432 1/20 0.55
PIK3R2 O00459 2/20 0.47

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
SCHEMBL4411221 1.00 PIK3CD (0.55) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL244097 0.92 PIK3CD (0.67) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL12688868 0.89 PIK3CD (0.62) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL14649207 0.89 PIK3CD (0.53) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL9884303 0.88 PIK3R1 (0.63) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL9884306 0.88 PIK3CD (0.56) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL20061407 0.88 PIK3CD (0.64) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL20061602 0.88 PIK3CD (0.64) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL9884312 0.87 PIK3CD (0.62) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA
SCHEMBL12943571 0.87 PIK3CD (0.56) PIK3CDPIK3CGPIK3R1PIK3CBPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11433065-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2022-09-06 US disclosed
EP-3441392-B1 A PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION INTELLIKINE LLC (US) 2021-12-15 EP disclosed
EP-3441392-B1 A PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION INTELLIKINE LLC (US) 2021-12-15 EP disclosed
CN-109912599-B Chemical entities, compositions, and methods 英特利凯恩有限责任公司 2021-11-02 CN disclosed
US-20200222384-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2020-07-16 US disclosed
US-20190290636-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2019-09-26 US disclosed
EP-3441392-A1 A PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION Intellikine, LLC (US) 2019-02-13 EP disclosed
EP-3150609-B1 PROCESS FOR PREPARING CERTAIN CHEMICAL ENTITIES INTELLIKINE LLC (US) 2018-09-12 EP disclosed
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2018-04-12 US disclosed
US-20170281614-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2017-10-05 US disclosed
EP-2918589-A1 ADENINE DERIVATIVE AS PI3K INHIBITOR Intellikine, LLC (US) 2015-09-16 EP disclosed
EP-2456444-B1 ADENINE DERIVATIVE AS PI3K INHIBITOR INTELLIKINE LLC (US) 2015-03-18 EP disclosed
US-20140341894-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2014-11-20 US disclosed
US-8785456-B2 Substituted isoquinolin-1(2H)-ones, and methods of use thereof INTELLIKINE LLC (US) 2014-07-22 US disclosed
US-20130345216-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC (US) 2013-12-26 US disclosed
US-8569323-B2 Substituted isoquinolin-1(2H)-one compounds, compositions, and methods thereof INTELLIKINE, LLC (US) 2013-10-29 US disclosed
US-20120245169-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2012-09-27 US disclosed
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2012-06-14 US disclosed
US-8193182-B2 Substituted isoquinolin-1(2H)-ones, and methods of use thereof INTELLIKINE, INC. (US) 2012-06-05 US disclosed
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE 2009-12-17 US 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 (10 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-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB PIK3CD 4/4885PIK3CG 2/4885PIK3R1 11/4885
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A PIK3CD 7/4885PIK3CG 8/4885PIK3R1 39/4885
US-20190290636-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB PIK3CD 4/4885PIK3CG 2/4885PIK3R1 11/4885
US-20130345216-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB PIK3CD 4/4885PIK3CG 2/4885PIK3R1 11/4885
US-20120245169-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB PIK3CD 4/4885PIK3CG 2/4885PIK3R1 11/4885
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A PIK3CD 7/4885PIK3CG 8/4885PIK3R1 39/4885
US-20140341894-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A PIK3CD 7/4885PIK3CG 8/4885PIK3R1 39/4885
US-20200222384-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A PIK3CD 7/4885PIK3CG 8/4885PIK3R1 39/4885
US-11433065-B2 Certain chemical entities, compositions and methods PIK3CA, AKT3, PIK3C2A PIK3CD 7/4885PIK3CG 8/4885PIK3R1 39/4885
US-20170281614-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB PIK3CD 4/4885PIK3CG 2/4885PIK3R1 11/4885

“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.