SCHEMBL965584

SCHEMBL965584

CNS(=O)(=O)c1cccc(N(N)Cc2c(C)c3ccc(Oc4nccs4)cc3oc2=O)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 13/20 0.61
RAF1 P04049 12/20 0.61
CYP2C9 P11712 3/20 0.44
CYP3A4 P08684 2/20 0.44
BRAF P15056 1/20 0.42
MAP2K2 P36507 1/20 0.42
MAP2K5 Q13163 1/20 0.42
STS P08842 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A2 O94788 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALDH1B1 P30837 1/20 0.39
ALDH1A3 P47895 1/20 0.39

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
SCHEMBL965583 0.78 MAP2K1 (0.62) MAP2K1RAF1CYP2C9CYP3A4BRAF
SCHEMBL962144 0.76 MAP2K1 (0.88) MAP2K1RAF1CYP2C9CYP3A4BRAF
SCHEMBL964533 0.76 MAP2K1 (0.75) MAP2K1RAF1CYP2C9CYP3A4BRAF
SCHEMBL958789 0.76 MAP2K1 (1.00) MAP2K1RAF1CYP2C9CYP3A4BRAF
SCHEMBL958482 0.76 MAP2K1 (0.85) MAP2K1RAF1CYP2C9CYP3A4STS
SCHEMBL973064 0.75 MAP2K1 (0.72) MAP2K1RAF1STSALDH1A2ALDH1A1
SCHEMBL959726 0.75 MAP2K1 (0.72) MAP2K1RAF1STSALDH1A2ALDH1A1
SCHEMBL965581 0.75 MAP2K1 (0.81) MAP2K1RAF1CYP2C9CYP3A4BRAF
SCHEMBL960796 0.75 MAP2K1 (0.98) MAP2K1RAF1CYP2C9CYP3A4BRAF
SCHEMBL962007 0.75 MAP2K1 (0.98) MAP2K1RAF1CYP2C9CYP3A4BRAF

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569378-B2 p27 protein inducer Sakai, Toshiyuki (JP) 2013-10-29 US disclosed
US-20110009398-A1 p27 Protein Inducer CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-01-13 US 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-20110009398-A1 p27 Protein Inducer CDKN1A, CDK2, SKP2 MAP2K1 1179/4885RAF1 1656/4885CYP2C9 2989/4885

“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.