SCHEMBL12895083

SCHEMBL12895083

Cc1csc2nc(Cn3nc(I)c4c(N)ncnc43)n(-c3ccccc3F)c(=O)c12

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.51
PIK3CG P48736 8/20 0.49
PIK3CA P42336 6/20 0.49
PIK3CB P42338 6/20 0.49
ABL1 P00519 1/20 0.46
SRC P12931 1/20 0.46
MTOR P42345 1/20 0.46
PRKDC P78527 1/20 0.46

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
SCHEMBL1261347 0.93 PIK3CD (0.54) PIK3CDPIK3CGPIK3CAPIK3CBABL1
SCHEMBL12895073 0.91 PIK3CD (0.48) PIK3CDPIK3CGPIK3CAPIK3CBABL1
SCHEMBL12895082 0.90 PIK3CD (0.51) PIK3CDPIK3CGPIK3CAPIK3CBABL1
SCHEMBL12895081 0.90 PIK3CD (0.51) PIK3CDPIK3CGPIK3CAPIK3CBABL1
SCHEMBL12895123 0.90 PIK3CD (0.45) PIK3CDPIK3CGPIK3CAPIK3CBABL1
SCHEMBL12921930 0.89 PIK3CD (0.50) PIK3CDPIK3CGPIK3CAPIK3CBABL1
SCHEMBL12895091 0.86 PIK3CD (0.65) PIK3CDPIK3CGPIK3CAPIK3CBABL1
SCHEMBL21769568 0.86 PIK3CD (0.58) PIK3CDPIK3CGPIK3CAPIK3CBABL1
SCHEMBL12895070 0.85 PIK3CD (0.56) PIK3CDPIK3CGPIK3CAPIK3CBABL1
SCHEMBL12895093 0.85 PIK3CD (0.68) PIK3CDPIK3CGPIK3CAPIK3CBABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3613743-A1 PROCESSES FOR THE PREPARATION OF 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE DERIVATIVES Intellikine, LLC (US) 2020-02-26 EP disclosed
EP-2240452-B1 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE DERIVATIVES AS PI3 KINASE MODULATORS, THEIR COMPOSITIONS AND USES INTELLIKINE LLC (US) 2019-05-29 EP disclosed
US-9822131-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2017-11-21 US disclosed
US-9822131-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2017-11-21 US disclosed
US-20160185800-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2016-06-30 US disclosed
US-20160185800-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2016-06-30 US disclosed
US-20140206684-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC (US) 2014-07-24 US disclosed
US-20140206684-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC (US) 2014-07-24 US disclosed
US-8703777-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2014-04-22 US disclosed
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2011-02-24 US disclosed
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2011-02-24 US disclosed
WO-2009088990-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. (US) 2009-07-16 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 (3 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-20140206684-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A PIK3CD 7/4885PIK3CG 8/4885PIK3CA 1/4885
US-20160185800-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A PIK3CD 7/4885PIK3CG 8/4885PIK3CA 1/4885
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A PIK3CD 6/4885PIK3CG 15/4885PIK3CA 1/4885

“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.