SCHEMBL1271286

SCHEMBL1271286

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

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 12/20 0.53
▸ BRAF P15056 12/20 0.53
▸ KDM4E B2RXH2 3/20 0.47
▸ HIF1A Q16665 3/20 0.47
▸ GBA1 P04062 3/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MAPK1 P28482 1/20 0.44

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
SCHEMBL1271882 0.89 MAPT (0.48) RAF1BRAFKDM4EHIF1AGBA1
SCHEMBL427421 0.84 GRM4 (0.47) RAF1BRAFKDM4EALDH1A1MAPT
SCHEMBL11926373 0.83 RAF1 (0.40) RAF1BRAFKDM4EALDH1A1MAPT
SCHEMBL11926300 0.82 GRM4 (0.47) BRAFKDM4EHIF1AGBA1ALDH1A1
SCHEMBL11926402 0.82 MAPT (0.44) RAF1BRAFKDM4EGBA1ALDH1A1
SCHEMBL425521 0.82 RAF1 (0.51) RAF1BRAFKDM4EHIF1AGBA1
SCHEMBL425091 0.82 RAF1 (0.62) RAF1BRAFGBA1MAPT
SCHEMBL3114692 0.80 RAF1 (0.50) RAF1BRAFKDM4EGBA1MAPT
SCHEMBL3111833 0.77 RAF1 (0.47) RAF1BRAFKDM4EHIF1AGBA1
SCHEMBL11926322 0.77 RAF1 (0.47) RAF1BRAFKDM4EGBA1ALDH1A1

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 10 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
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
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 RAF1 388/4885BRAF 73/4885KDM4E 1201/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG RAF1 2782/4885BRAF 2713/4885KDM4E 3666/4885

“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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