SCHEMBL960796

SCHEMBL960796

CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(Oc4nccs4)cc3oc2=O)c1.[NaH]

nearest known ligand 0.98

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.98
RAF1 P04049 16/20 0.98
CYP2C9 P11712 3/20 0.64
CYP3A4 P08684 2/20 0.64
BRAF P15056 1/20 0.53
MAP2K2 P36507 1/20 0.53
MAP2K5 Q13163 1/20 0.53

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
SCHEMBL958789 0.99 MAP2K1 (1.00) MAP2K1RAF1CYP2C9CYP3A4BRAF
SCHEMBL962007 0.98 MAP2K1 (0.98) MAP2K1RAF1CYP2C9CYP3A4BRAF
SCHEMBL958482 0.91 MAP2K1 (0.85) MAP2K1RAF1CYP2C9CYP3A4
SCHEMBL965581 0.89 MAP2K1 (0.81) MAP2K1RAF1CYP2C9CYP3A4BRAF
SCHEMBL965406 0.88 MAP2K1 (0.78) MAP2K1RAF1CYP2C9CYP3A4
SCHEMBL959831 0.87 MAP2K1 (0.79) MAP2K1RAF1CYP2C9CYP3A4
SCHEMBL963775 0.87 MAP2K1 (0.78) MAP2K1RAF1CYP2C9CYP3A4
SCHEMBL963545 0.87 MAP2K1 (0.78) MAP2K1RAF1CYP2C9CYP3A4
SCHEMBL12917636 0.87 MAP2K1 (1.00) MAP2K1RAF1CYP2C9CYP3A4BRAF
SCHEMBL962592 0.87 MAP2K1 (0.78) MAP2K1RAF1CYP2C9CYP3A4

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
EP-2172198-B1 p27 PROTEIN INDUCER CHUGAI PHARMACEUTICAL CO LTD (JP) 2014-04-16 EP disclosed
US-8569378-B2 p27 protein inducer Sakai, Toshiyuki (JP) 2013-10-29 US disclosed
US-8278465-B2 Coumarin derivative having antitumor activity CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-02 US disclosed
EP-1982982-B1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-09-26 EP disclosed
US-20110092700-A1 Novel Coumarin Derivative Having Antitumor Activity IIKURA HITOSHI 2011-04-21 US disclosed
US-7897792-B2 Coumarin derivative having antitumor activity CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-03-01 US disclosed
US-20110009398-A1 p27 Protein Inducer CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-01-13 US disclosed
EP-2172198-A1 p27 PROTEIN INDUCER Chugai Seiyaku Kabushiki Kaisha (JP) 2010-04-07 EP disclosed
US-20100004233-A1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-01-07 US disclosed
EP-1982982-A1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-10-22 EP 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 (3 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
US-20110092700-A1 Novel Coumarin Derivative Having Antitumor Activity H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SULT1A1, SULT1E1 MAP2K1 3163/4885RAF1 438/4885CYP2C9 448/4885
US-20100004233-A1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SULT1A1, SULT1E1 MAP2K1 3163/4885RAF1 438/4885CYP2C9 448/4885

“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.