SCHEMBL1270765

SCHEMBL1270765

O=C(Nc1ccc2[nH]cnc2c1)c1cc(N2CCOCC2)nc(N2CCOCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 11/20 0.48
BRAF P15056 11/20 0.48
HTT P42858 2/20 0.43
F2 P00734 1/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HIF1A Q16665 2/20 0.43
SRC P12931 1/20 0.43
AKT1 P31749 1/20 0.43
MTOR P42345 1/20 0.43
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL1271530 0.84 NPC1 (0.52) RAF1BRAFMTORGAA
SCHEMBL425521 0.80 RAF1 (0.51) RAF1BRAFLMNATP53L3MBTL1
SCHEMBL425091 0.79 RAF1 (0.62) RAF1BRAF
SCHEMBL11926322 0.77 RAF1 (0.47) RAF1BRAFKDM4E
SCHEMBL11926334 0.77 RAF1 (0.49) RAF1BRAFKDM4E
SCHEMBL11926327 0.77 RAF1 (0.45) RAF1BRAFKDM4EHIF1AGAA
SCHEMBL3114692 0.76 RAF1 (0.50) RAF1BRAFLMNATP53KDM4E
SCHEMBL3111235 0.76 RAF1 (0.48) RAF1BRAFLMNATP53KDM4E
SCHEMBL425089 0.75 MEN1 (0.51) RAF1BRAFHTTPOLBLMNA
SCHEMBL3111833 0.75 RAF1 (0.47) RAF1BRAFKDM4EHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034454-A1 MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2011-02-10 US disclosed
US-20110034454-A1 MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2011-02-10 US disclosed
EP-1979325-A1 MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2008-10-15 EP disclosed
WO-2007080382-A1 MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2007-07-19 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-20110034454-A1 MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY TYMP, TYMS, PIK3CA RAF1 388/4885BRAF 73/4885HTT 3314/4885

“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.