SCHEMBL1271882

SCHEMBL1271882

Cc1c(C)n(C)c2ccc(NC(=O)c3cc(N4CCOCC4)cc(N4CCOCC4)n3)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.48
▸ KDM4E B2RXH2 5/20 0.47
▸ HIF1A Q16665 3/20 0.47
▸ GBA1 P04062 5/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ RAF1 P04049 2/20 0.45
▸ BRAF P15056 2/20 0.45
▸ TP53 P04637 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GLA P06280 1/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ HTR1B P28222 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
SCHEMBL1271286 0.89 RAF1 (0.53) MAPTKDM4EHIF1AGBA1ALDH1A1
SCHEMBL11926300 0.84 GRM4 (0.47) MAPTKDM4EHIF1AGBA1ALDH1A1
SCHEMBL1271164 0.81 GBA1 (0.47) MAPTKDM4EHIF1AGBA1ALDH1A1
SCHEMBL11926330 0.78 MAPT (0.46) MAPTKDM4EHIF1AGBA1ALDH1A1
SCHEMBL427421 0.77 GRM4 (0.47) MAPTKDM4EALDH1A1SMN1; SMN2RAF1
SCHEMBL11926320 0.76 GBA1 (0.45) MAPTKDM4EHIF1AGBA1ALDH1A1
SCHEMBL11926318 0.76 NPC1 (0.44) MAPTKDM4EHIF1AGBA1ALDH1A1
SCHEMBL11926373 0.76 RAF1 (0.40) MAPTKDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL13439960 0.75 RAF1 (0.44) MAPTKDM4EHIF1AGBA1ALDH1A1
SCHEMBL11926402 0.74 MAPT (0.44) MAPTKDM4EGBA1ALDH1A1RAB9A

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 11 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 claimed
EP-1979325-A1 MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2008-10-15 — — EP claimed
WO-2007080382-A1 MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2007-07-19 — — WO claimed
US-8236795-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-08-07 — — US disclosed
US-8236795-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-08-07 — — US disclosed
US-20110034454-A1 MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2011-02-10 — — US disclosed
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 — — US disclosed
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 — — US disclosed
US-7696202-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2010-04-13 — — 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 (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-20110034454-A1 MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY TYMP, TYMS, PIK3CA MAPT 2984/4885KDM4E 1201/4885HIF1A 1443/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG MAPT 3259/4885KDM4E 3666/4885HIF1A 809/4885

“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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