SCHEMBL15812964

SCHEMBL15812964

C[C@H](N)c1nc2cccc(F)c2c(=O)n1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 12/20 0.55
PIK3CB P42338 12/20 0.55
PIK3CD O00329 11/20 0.55
PIK3CA P42336 9/20 0.55
PIK3R1 P27986 6/20 0.55
PIK3R2 O00459 1/20 0.50
ABCB11 O95342 1/20 0.50
HTR1A P08908 1/20 0.50
PTGS1 P23219 1/20 0.50
OPRM1 P35372 1/20 0.50
PRKDC P78527 1/20 0.50
SLC6A3 Q01959 1/20 0.50
PDE4D Q08499 1/20 0.50
PDE3A Q14432 1/20 0.50
PIK3C3 Q8NEB9 1/20 0.50
CSNK1E P49674 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
SCHEMBL15812966 1.00 PIK3CG (0.55) PIK3CGPIK3CBPIK3CDPIK3CAPIK3R1
SCHEMBL16345600 0.90 PIK3CD (0.55) PIK3CGPIK3CBPIK3CDPIK3CAPIK3R1
SCHEMBL20061285 0.90 PIK3CG (0.57) PIK3CGPIK3CBPIK3CDPIK3CAPIK3R1
SCHEMBL15812830 0.89 PIK3CG (0.55) PIK3CGPIK3CBPIK3CDPIK3CAPIK3R1
SCHEMBL15812829 0.89 PIK3CG (0.55) PIK3CGPIK3CBPIK3CDPIK3CAPIK3R1
SCHEMBL15812562 0.88 PIK3CD (0.59) PIK3CGPIK3CBPIK3CDPIK3CAPIK3R1
SCHEMBL15812564 0.88 PIK3CD (0.59) PIK3CGPIK3CBPIK3CDPIK3CAPIK3R1
SCHEMBL22854708 0.87 PIK3CG (0.55) PIK3CGPIK3CBPIK3CDPIK3CAPIK3R1
SCHEMBL22854766 0.87 PIK3CG (0.55) PIK3CGPIK3CBPIK3CDPIK3CAPIK3R1
SCHEMBL22854697 0.87 PIK3CG (0.55) PIK3CGPIK3CBPIK3CDPIK3CAPIK3R1

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-3046563-B1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AS PI3-KINASE INHIBITORS CALITOR SCIENCES LLC (US) 2019-05-29 EP disclosed
EP-2935246-B1 ISOQUINOLINONE OR QUINAZOLINONE PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC (US) 2018-07-25 EP disclosed
EP-2941426-B1 SUBSTITUTED PYRIMIDINE AMINOALKYL-QUINAZOLONES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC (US) 2018-06-13 EP disclosed
WO-2017130221-A1 IMPROVED PROCESS FOR THE PREPARATION OF IDELALISIB SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2017-08-03 WO disclosed
US-9670194-B2 Substituted aminopyrimidine compounds and methods of use CALITOR SCIENCES, LLC (US) 2017-06-06 US disclosed
US-9518046-B2 Substituted aminopyrimidine compounds and methods of use CALITOR SCIENCES, LLC (US) 2016-12-13 US disclosed
US-20160318913-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-11-03 US disclosed
CN-105924434-A Substituted aminopyrimidine compound and usage method and application thereof 广东东阳光药业有限公司 2016-09-07 CN disclosed
US-9266878-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD CALISTOGA LLC (US) 2016-02-23 US disclosed
US-20160016915-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC. 2016-01-21 US disclosed
US-20150218154-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC (US) 2015-08-06 US disclosed
US-9029384-B2 Phosphatidylinositol 3-kinase inhibitors Gilead Calistoga, LLC. (US) 2015-05-12 US disclosed
US-9018221-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD CALISTOGA, LLC (US) 2015-04-28 US disclosed
CN-104513235-A Substituted aminopyrimidine compound and use thereof GUANGDONG HEC PHARMACEUTICAL 2015-04-15 CN disclosed
US-20150087663-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-03-26 US disclosed
US-20140179673-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC (US) 2014-06-26 US disclosed
US-20140179718-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC (US) 2014-06-26 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 (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-20150087663-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, MYD88 PIK3CG 5/4885PIK3CB 4/4885PIK3CD 2/4885
US-20150218154-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, PIK3R5, PIK3R4 PIK3CG 10/4885PIK3CB 12/4885PIK3CD 4/4885
US-20140179673-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, PIK3R5, PIK3R4 PIK3CG 10/4885PIK3CB 12/4885PIK3CD 4/4885
US-20140179718-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3R5, PIK3CA, PIK3R4 PIK3CG 10/4885PIK3CB 12/4885PIK3CD 5/4885
US-20160318913-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, MYD88 PIK3CG 6/4885PIK3CB 4/4885PIK3CD 2/4885
US-20160016915-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3R5, PIK3CA, PIK3R4 PIK3CG 10/4885PIK3CB 12/4885PIK3CD 5/4885

“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.