SCHEMBL1271927

SCHEMBL1271927

Cc1cc(NC(=O)c2cc(N3CCOCC3)nc(N3CCOCC3)n2)[nH]n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.52
▸ THRB P10828 3/20 0.47
▸ GAA P10253 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ HRH4 Q9H3N8 1/20 0.47
▸ ADORA2A P29274 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ RAF1 P04049 2/20 0.46
▸ BRAF P15056 2/20 0.46
▸ NAPEPLD Q6IQ20 5/20 0.44
▸ GBA1 P04062 1/20 0.44
▸ PIK3CB P42338 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ PIK3CA P42336 1/20 0.42
▸ MTOR P42345 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
SCHEMBL425091 0.78 RAF1 (0.62) RAF1BRAFGBA1MAPT
SCHEMBL425521 0.74 RAF1 (0.51) ALDH1A1KDM4ERAF1BRAFGBA1
SCHEMBL1270737 0.74 MAPT (0.52) KMT2ATHRBGAAALDH1A1KDM4E
SCHEMBL1271891 0.74 KMO (0.61) KMT2ATHRBGAAALDH1A1KDM4E
SCHEMBL6651425 0.73 POLB (0.64) KMT2ATHRBGAAALDH1A1KDM4E
SCHEMBL1271602 0.72 AKT1 (0.61) KMT2AGAAALDH1A1KDM4EMEN1
SCHEMBL1271530 0.72 NPC1 (0.52) GAARAF1BRAFMAPTPIK3CA
SCHEMBL1271286 0.72 RAF1 (0.53) ALDH1A1KDM4ERAF1BRAFGBA1
SCHEMBL9003193 0.71 KMT2A (0.76) KMT2ATHRBGAAALDH1A1KDM4E
SCHEMBL26742792 0.71 KMT2A (0.55) KMT2AGAAALDH1A1KDM4ESMN1; 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 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 KMT2A 2550/4885THRB 3230/4885GAA 582/4885

“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.

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