SCHEMBL3086717

SCHEMBL3086717

Cc1cc(OCC2COC(C)(C)O2)ccc1C(=N)NO

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.42
CCNK O75909 1/20 0.40
CDK12 Q9NYV4 1/20 0.40
CA2 P00918 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTR7 P34969 1/20 0.35
APP P05067 1/20 0.34

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
SCHEMBL3086715 1.00 MAPK14 (0.42) MAPK14CCNKCDK12CA2NPC1
SCHEMBL1175673 0.88 MAPK14 (0.41) MAPK14CCNKCDK12
SCHEMBL1175671 0.88 MAPK14 (0.41) MAPK14CCNKCDK12
SCHEMBL1175351 0.86 MAPK14 (0.41) MAPK14CCNKCDK12CA2NPC1
SCHEMBL1175355 0.86 MAPK14 (0.41) MAPK14CCNKCDK12CA2NPC1
SCHEMBL15293620 0.80 MAPK14 (0.47) MAPK14CCNKCDK12CA2APP
SCHEMBL17669425 0.79 MAPK14 (0.45) MAPK14CCNKCDK12CA2
SCHEMBL13552055 0.79 MAPK14 (0.45) MAPK14CCNKCDK12CA2
SCHEMBL5464799 0.78 MAPK14 (0.53) MAPK14CCNKCDK12CA2
SCHEMBL13492104 0.78 MAPK14 (0.53) MAPK14CCNKCDK12CA2

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
EP-2217594-B1 NOVEL PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-01-08 EP disclosed
US-8299086-B2 Pyrimidine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-30 US disclosed
US-20100234346-A1 NOVEL PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-16 US disclosed
EP-2217594-A2 NOVEL PYRIMIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-08-18 EP disclosed
WO-2009057079-A2 NOVEL PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-05-07 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-20100234346-A1 NOVEL PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD MAPK14 2373/4885CCNK 342/4885CDK12 574/4885

“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.