SCHEMBL2815435

SCHEMBL2815435

CC(C)(C)OC(=O)N1CCCC(Oc2cc(Cl)nc(N3CCOCC3)n2)C1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.43
CHEK2 O96017 1/20 0.43
PIK3CA P42336 10/20 0.42
PIK3R1 P27986 6/20 0.42
USP30 Q70CQ3 2/20 0.41
MTOR P42345 1/20 0.41
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TBK1 Q9UHD2 1/20 0.39

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
SCHEMBL2816228 1.00 PIK3CD (0.43) PIK3CDCHEK2PIK3CAPIK3R1USP30
SCHEMBL2815436 1.00 PIK3CD (0.43) PIK3CDCHEK2PIK3CAPIK3R1USP30
SCHEMBL2813070 0.94 PIK3CD (0.48) PIK3CDPIK3CAPIK3R1USP30MTOR
SCHEMBL2813469 0.94 PIK3CD (0.48) PIK3CDPIK3CAPIK3R1USP30MTOR
SCHEMBL2813072 0.94 PIK3CD (0.48) PIK3CDPIK3CAPIK3R1USP30MTOR
SCHEMBL2814089 0.88 GPR119 (0.47) PIK3CAPIK3R1MTORUSP2SMN1; SMN2
SCHEMBL4975886 0.86 EGLN1 (0.37) PIK3CAMTORSMN1; SMN2
SCHEMBL4972186 0.82 KMT2A (0.38) PIK3CAPIK3R1SMN1; SMN2
SCHEMBL2814382 0.82 PIK3CA (0.50) PIK3CDPIK3CAPIK3R1
SCHEMBL2814380 0.82 PIK3CA (0.50) PIK3CDPIK3CAPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563549-B2 Pyrimidine derivatives used as PI-3 kinase inhibitors NOVARTIS AG (CH) 2013-10-22 US disclosed
US-8563549-B2 Pyrimidine derivatives used as PI-3 kinase inhibitors NOVARTIS AG (CH) 2013-10-22 US disclosed
EP-2261223-B1 Pyrimidine derivatives used as pi-3 kinase inhibitors NOVARTIS AG (CH) 2013-06-12 EP disclosed
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2012-09-06 US disclosed
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2012-09-06 US disclosed
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2012-09-06 US disclosed
US-8217035-B2 Pyrimidine derivatives used as PI-3-kinase inhibitors NOVARTIS AG (CH) 2012-07-10 US disclosed
US-8217035-B2 Pyrimidine derivatives used as PI-3-kinase inhibitors NOVARTIS AG (CH) 2012-07-10 US disclosed
US-8217035-B2 Pyrimidine derivatives used as PI-3-kinase inhibitors NOVARTIS AG (CH) 2012-07-10 US disclosed
EP-2261223-A1 Pyrimidine derivatives used as pi-3 kinase inhibitors Novartis AG (CH) 2010-12-15 EP disclosed
US-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2010-09-30 US disclosed
US-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2010-09-30 US disclosed
US-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2010-09-30 US disclosed
EP-1984350-B1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2010-08-18 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 (2 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-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS PIK3CA, PI4KA, PI4KB PIK3CD 16/4885CHEK2 27/4885PIK3CA 1/4885
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS PIK3CA, PI4KA, PI4KB PIK3CD 15/4885CHEK2 26/4885PIK3CA 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.