SCHEMBL9925955

SCHEMBL9925955

Cc1cnc(N)nc1N[C@@H](C)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.61
PIK3CG P48736 13/20 0.61
PIK3R1 P27986 11/20 0.60
ABCB11 O95342 1/20 0.60
TBXA2R P21731 1/20 0.60
HTR2A P28223 1/20 0.60
PIK3CA P42336 1/20 0.60
PIK3CB P42338 1/20 0.60
PDE3A Q14432 1/20 0.60
PIK3R2 O00459 3/20 0.53

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
SCHEMBL15354421 1.00 PIK3CD (0.61) PIK3CDPIK3CGPIK3R1ABCB11TBXA2R
SCHEMBL20725978 1.00 PIK3CD (0.61) PIK3CDPIK3CGPIK3R1ABCB11TBXA2R
SCHEMBL9884034 0.92 PIK3CD (0.62) PIK3CDPIK3CGPIK3R1ABCB11TBXA2R
SCHEMBL14730049 0.91 PIK3CD (0.61) PIK3CDPIK3CGPIK3R1ABCB11TBXA2R
SCHEMBL9924649 0.91 PIK3CD (0.52) PIK3CDPIK3CGPIK3R1ABCB11TBXA2R
SCHEMBL12688624 0.90 PIK3CD (0.62) PIK3CDPIK3CGPIK3R1ABCB11TBXA2R
SCHEMBL14726255 0.90 PIK3CD (0.62) PIK3CDPIK3CGPIK3R1ABCB11TBXA2R
SCHEMBL14718912 0.90 PIK3CD (0.59) PIK3CDPIK3CGPIK3R1ABCB11TBXA2R
SCHEMBL9884023 0.90 PIK3CD (0.60) PIK3CDPIK3CGPIK3R1ABCB11TBXA2R
SCHEMBL14726438 0.90 PIK3CD (0.59) PIK3CDPIK3CGPIK3R1ABCB11TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3441392-B1 A PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION INTELLIKINE LLC (US) 2021-12-15 EP disclosed
US-20190290636-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2019-09-26 US disclosed
US-20170281614-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2017-10-05 US disclosed
US-20170281614-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2017-10-05 US disclosed
US-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2017-05-18 US disclosed
US-9546180-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-01-17 US disclosed
US-9522146-B2 Substituted Isoquinolin-1(2H)-one compounds, compositions, and methods thereof INTELLIKINE LLC (US) 2016-12-20 US disclosed
US-9522146-B2 Substituted Isoquinolin-1(2H)-one compounds, compositions, and methods thereof INTELLIKINE LLC (US) 2016-12-20 US disclosed
US-20160031886-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2016-02-04 US disclosed
US-9115141-B2 Substituted isoquinolinones and methods of treatment thereof INFINITY PHARMACEUTICALS, INC. (US) 2015-08-25 US disclosed
US-20140288048-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2014-09-25 US disclosed
US-8785470-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
US-8569323-B2 Substituted isoquinolin-1(2H)-one compounds, compositions, and methods thereof INTELLIKINE, LLC (US) 2013-10-29 US disclosed
US-8569323-B2 Substituted isoquinolin-1(2H)-one compounds, compositions, and methods thereof INTELLIKINE, LLC (US) 2013-10-29 US disclosed
US-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLKINE, LLC (US) 2013-02-28 US disclosed
US-20120245169-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2012-09-27 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20140288048-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 PIK3CD 5/4885PIK3CG 14/4885PIK3R1 70/4885
US-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 PIK3CD 5/4885PIK3CG 14/4885PIK3R1 70/4885
US-20190290636-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB PIK3CD 4/4885PIK3CG 2/4885PIK3R1 11/4885
US-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 PIK3CD 5/4885PIK3CG 14/4885PIK3R1 70/4885
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-20160031886-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB PIK3CD 4/4885PIK3CG 2/4885PIK3R1 11/4885
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.