SCHEMBL2815047

SCHEMBL2815047

O=C(O)N1CCC(Oc2cc(Cl)nc(N3CCOCC3)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.42
PIK3CA P42336 4/20 0.40
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 2/20 0.37
EGLN1 Q9GZT9 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PDE10A Q9Y233 1/20 0.37
POLB P06746 2/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
PIK3R1 P27986 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL4971141 0.93 JAK3 (0.39) JAK3PIK3CARAF1BRAFSMN1; SMN2
SCHEMBL4975886 0.87 EGLN1 (0.37) JAK3PIK3CARAF1BRAFSMN1; SMN2
SCHEMBL2815691 0.86 PDE10A (0.46) JAK3PIK3CARAF1BRAFSMN1; SMN2
SCHEMBL17407919 0.85 PDE10A (0.43) JAK3PIK3CARAF1BRAFSMN1; SMN2
SCHEMBL2814089 0.85 GPR119 (0.47) PIK3CASMN1; SMN2PIK3R1MTOR
SCHEMBL10327739 0.84 MAPT (0.41) JAK3PIK3CARAF1BRAFSMN1; SMN2
SCHEMBL477296 0.82 PIK3CA (0.44) JAK3PIK3CASMN1; SMN2HTTKDM4E
SCHEMBL2813070 0.81 PIK3CD (0.48) PIK3CAPIK3R1MTOR
SCHEMBL2813072 0.81 PIK3CD (0.48) PIK3CAPIK3R1MTOR
SCHEMBL2813469 0.81 PIK3CD (0.48) PIK3CAPIK3R1MTOR

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 9 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
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-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
EP-1984350-B1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2010-08-18 EP disclosed
EP-1984350-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS Novartis AG (CH) 2008-10-29 EP disclosed
WO-2007084786-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2007-07-26 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 (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 JAK3 278/4885PIK3CA 1/4885RAF1 96/4885
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS PIK3CA, PI4KA, PI4KB JAK3 248/4885PIK3CA 1/4885RAF1 87/4885

“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.