SCHEMBL3092347

SCHEMBL3092347

CCOC(CNC(=O)c1cc(C)c(OCc2ccccc2)c(CC)c1)(OCC)c1cc(C)nc(NC(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 1/20 0.39
TAOK3 Q9H2K8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
SLC6A5 Q9Y345 3/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.35
BRD4 O60885 2/20 0.34
TSHR P16473 1/20 0.34
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PKM P14618 1/20 0.33
GLRA1 P23415 1/20 0.33
ELANE P08246 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL3097756 0.82 TAOK1 (0.43) TAOK1TAOK3SMN1; SMN2SLC6A5MEN1
SCHEMBL3216633 0.82 S1PR1 (0.38) TAOK1TAOK3SMN1; SMN2SLC6A5MEN1
SCHEMBL3215538 0.72 TAOK1 (0.41) TAOK1TAOK3SMN1; SMN2MEN1KMT2A
SCHEMBL261974 0.71 MAPT (0.50) TAOK1TAOK3SMN1; SMN2MEN1KMT2A
SCHEMBL3080691 0.71 S1PR1 (0.44)
SCHEMBL262674 0.70 MEN1 (0.56) SMN1; SMN2MEN1KMT2APKMGLRA1
SCHEMBL3282976 0.69 S1PR1 (0.40) TAOK1TAOK3SMN1; SMN2SLC6A5KMT2A
SCHEMBL3086959 0.69 S1PR1 (0.41) SMN1; SMN2MEN1KMT2AGAATSHR
SCHEMBL2538906 0.69 TAS1R3 (0.44) SMN1; SMN2MEN1KMT2ABRD4GLRA1
SCHEMBL3085073 0.68 GAA (0.36) GAATSHRKDM4ELMNA

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 7 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
CN-101970430-B Novel pyrimidine derivatives ACTELION PHARMACEUTICALS LTD 2013-05-08 CN disclosed
US-8299086-B2 Pyrimidine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-30 US disclosed
CN-101970430-A Novel pyrimidine derivatives ACTELION PHARMACEUTICALS LTD 2011-02-09 CN 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 TAOK1 3251/4885TAOK3 3364/4885SMN1; SMN2 4171/4885

“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.