SCHEMBL2375992

SCHEMBL2375992

Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccncc2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 1.00
PIK3R1 P27986 4/20 0.79

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
SCHEMBL2378008 0.93 PIK3CA (0.86) PIK3CAPIK3R1
SCHEMBL2376385 0.91 PIK3CA (1.00) PIK3CAPIK3R1
SCHEMBL2378701 0.90 PIK3CA (0.82) PIK3CAPIK3R1
SCHEMBL2376424 0.90 PIK3CA (1.00) PIK3CAPIK3R1
SCHEMBL19623747 0.90 PIK3CA (0.84) PIK3CAPIK3R1
SCHEMBL19623573 0.90 PIK3CA (0.84) PIK3CAPIK3R1
SCHEMBL2376678 0.90 PIK3CA (1.00) PIK3CAPIK3R1
SCHEMBL2379098 0.90 PIK3CA (0.81) PIK3CAPIK3R1
SCHEMBL2376229 0.89 PIK3CA (1.00) PIK3CAPIK3R1
SCHEMBL2376003 0.89 PIK3CA (1.00) PIK3CAPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP claimed
US-8022205-B2 Pyrimidine derivatives as PI3K inhibitor and use thereof CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-09-20 US claimed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US claimed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 EP claimed
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP disclosed
US-20140051699-A1 PI3K (delta) SELECTIVE INHIBITORS XCOVERY HOLDING COMPANY, LLC (US) 2014-02-20 US 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-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-8022205-B2 Pyrimidine derivatives as PI3K inhibitor and use thereof CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-09-20 US disclosed
US-8022205-B2 Pyrimidine derivatives as PI3K inhibitor and use thereof CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-09-20 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
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US disclosed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US disclosed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 EP disclosed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 EP 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-20140051699-A1 PI3K (delta) SELECTIVE INHIBITORS PIK3CD, PIK3CA, PIK3R5 PIK3CA 2/4885PIK3R1 10/4885
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF PIK3CA, AKT3, AKT1 PIK3CA 1/4885PIK3R1 5/4885
US-20110130395-A1 P13K ISOFORM SELECTIVE INHIBITORS PI4KA, PIK3CA, PIKFYVE PIK3CA 2/4885PIK3R1 79/4885

“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.