SCHEMBL10153801

SCHEMBL10153801

c1ccc(CCNc2nc(-c3cccc4[nH]ccc34)cc(N3CCOCC3)n2)nc1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.78
PIK3CB P42338 2/20 0.66
PIK3CG P48736 2/20 0.66
PIK3CD O00329 1/20 0.52
ATR Q13535 4/20 0.50
MTOR P42345 1/20 0.48
PRKDC P78527 1/20 0.48
ATRIP Q8WXE1 1/20 0.46
TYK2 P29597 1/20 0.45
SYK P43405 1/20 0.45
BRSK1 Q8TDC3 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45

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
SCHEMBL13406369 0.86 PIK3CA (0.77) PIK3CAPIK3CBPIK3CGPIK3CDATR
SCHEMBL13406371 0.85 PIK3CA (0.93) PIK3CAPIK3CBPIK3CGATRTYK2
SCHEMBL13406364 0.85 PIK3CA (0.57) PIK3CAPIK3CBPIK3CGPIK3CDATR
SCHEMBL1310090 0.84 PIK3CA (0.56) PIK3CAPIK3CBPIK3CGPIK3CDATR
SCHEMBL13336861 0.84 PIK3CA (0.79) PIK3CAPIK3CBPIK3CGPIK3CDATR
SCHEMBL13119642 0.84 PIK3CA (0.55) PIK3CAPIK3CBPIK3CGPIK3CDATR
SCHEMBL3560625 0.82 PIK3CA (0.78) PIK3CAPIK3CBPIK3CGPIK3CDATR
SCHEMBL7906648 0.81 PIK3CA (0.51) PIK3CAPIK3CBPIK3CGPIK3CDATR
SCHEMBL13406351 0.77 PIK3CA (0.67) PIK3CAPIK3CBPIK3CGPIK3CDTYK2
SCHEMBL1311145 0.77 PIK3CA (0.53) PIK3CAPIK3CBPIK3CGPIK3CDATR

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-2382207-B1 PI3K/MTOR KINASE INHIBITORS XCOVERY HOLDING CO LLC (US) 2015-04-29 EP disclosed
US-20140051699-A1 PI3K (delta) SELECTIVE INHIBITORS XCOVERY HOLDING COMPANY, LLC (US) 2014-02-20 US disclosed
US-8586582-B2 PI3K/mTOR kinase inhibitors XCOVERY HOLDING COMPANY, LLC (US) 2013-11-19 US disclosed
US-8569296-B2 PI3K (delta) selective inhibitors XCOVERY HOLDING COMPANY, LLC (US) 2013-10-29 US disclosed
US-8513221-B2 PI3K isoform selective inhibitors Xcovery Holding, LLC (US) 2013-08-20 US disclosed
US-8513221-B2 PI3K isoform selective inhibitors Xcovery Holding, LLC (US) 2013-08-20 US disclosed
US-20120202805-A1 PI3K (delta) SELECTIVE INHIBITORS XCOVERY HOLDING COMPANY, LLC 2012-08-09 US disclosed
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
EP-2397479-A1 HETERO RING DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-21 EP disclosed
US-20110281857-A1 PI3K/MTOR KINASE INHIBITORS XCOVERY HOLDING COMPANY, LLC (US) 2011-11-17 US disclosed
US-20110130395-A1 P13K ISOFORM SELECTIVE INHIBITORS XCOVERY HOLDING COMPANY LLC 2011-06-02 US disclosed
US-20110130395-A1 P13K ISOFORM SELECTIVE INHIBITORS XCOVERY HOLDING COMPANY LLC 2011-06-02 US disclosed
WO-2010092962-A1 HETERO RING DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-19 WO disclosed
US-7696204-B2 Pharmaceutical compounds LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2010-04-13 US disclosed
US-7696204-B2 Pharmaceutical compounds LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2010-04-13 US disclosed
US-20090042884-A1 Pharmaceutical Compounds F.HOFFMANN-LA ROCHE AG (CH) 2009-02-12 US disclosed
US-20090042884-A1 Pharmaceutical Compounds F.HOFFMANN-LA ROCHE AG (CH) 2009-02-12 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-20140051699-A1 PI3K (delta) SELECTIVE INHIBITORS PIK3CD, PIK3CA, PIK3R5 PIK3CA 2/4885PIK3CB 6/4885PIK3CG 5/4885
US-20090042884-A1 Pharmaceutical Compounds PIK3CA, JAK1, PIK3R1 PIK3CA 1/4885PIK3CB 10/4885PIK3CG 15/4885
US-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA PIK3CA 28/4885PIK3CB 13/4885PIK3CG 14/4885
US-20120202805-A1 PI3K (delta) SELECTIVE INHIBITORS PIK3CD, PIK3CA, PIK3R5 PIK3CA 2/4885PIK3CB 6/4885PIK3CG 5/4885
US-20110281857-A1 PI3K/MTOR KINASE INHIBITORS MTOR, PIK3CA, PI4KA PIK3CA 2/4885PIK3CB 9/4885PIK3CG 7/4885
US-20110130395-A1 P13K ISOFORM SELECTIVE INHIBITORS PI4KA, PIK3CA, PIKFYVE PIK3CA 2/4885PIK3CB 15/4885PIK3CG 16/4885

“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.