SCHEMBL4094752

SCHEMBL4094752

COc1cc(OC)c(N2CCOCC2)cc1N

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 2/20 0.46
PRKDC P78527 1/20 0.44
PIK3CA P42336 1/20 0.43
MTOR P42345 1/20 0.43
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PDE10A Q9Y233 1/20 0.41
GAK O14976 1/20 0.41
KIT P10721 1/20 0.41
AKR1C3 P42330 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL1911908 0.93 LGMN (0.46) LGMNPRKDCPIK3CAMTORGAA
Hydrochloric Acid SCHEMBL7721210 0.92 LGMN (0.45) LGMNPRKDCPIK3CAMTORGAA
SCHEMBL22003311 0.87 LGMN (0.50) LGMNPRKDCPIK3CAMTORGAA
SCHEMBL30505441 0.85 LGMN (0.49) LGMNPRKDCPIK3CAMTORGAA
SCHEMBL24179133 0.84 MAPT (0.47) LGMNPRKDCPIK3CAMTORGAA
SCHEMBL23153727 0.84 LGMN (0.44) LGMNPRKDCPIK3CAMTORGAA
SCHEMBL21382460 0.83 POLB (0.51) LGMNPRKDCPIK3CAMTORGAA
SCHEMBL19174694 0.83 MAPT (0.54) LGMNPRKDCPIK3CAMTORGAA
SCHEMBL13849356 0.81 SUV39H2 (0.46) PRKDCMAPTSMN1; SMN2ALDH1A1PDE10A
SCHEMBL23759566 0.80 ALDH1A1 (0.46) LGMNPRKDCGAAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 US disclosed
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 US disclosed
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 US disclosed
EP-1784392-A2 PYRIMIDINE DERIVATIVES Novartis AG (CH) 2007-05-16 EP disclosed
WO-2006021454-A2 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2006-03-02 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 (1 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-20090131436-A1 Pyrimidine Derivatives DPYD, TYMP, TYMS LGMN 4790/4885PRKDC 1273/4885PIK3CA 345/4885

“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.