SCHEMBL2162976

SCHEMBL2162976

COc1ncc(-c2cnc3[nH]cc(C(=O)c4cccc(NS(=O)(=O)c5ccccc5F)c4F)c3c2)cn1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 8/20 0.69
CYP2D6 P10635 2/20 0.69
CYP3A4 P08684 3/20 0.60
CYP2C19 P33261 5/20 0.51
PIK3CD O00329 1/20 0.47
PIK3R1 P27986 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47

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
SCHEMBL12400979 0.91 CYP2C9 (0.72) CYP2C9CYP2D6CYP3A4CYP2C19PIK3CD
SCHEMBL294013 0.89 CYP2C9 (0.86) CYP2C9CYP2D6CYP3A4CYP2C19
SCHEMBL15667586 0.86 CYP2D6 (0.64) CYP2C9CYP2D6CYP3A4CYP2C19
SCHEMBL12402058 0.86 CYP2D6 (0.64) CYP2C9CYP2D6CYP3A4CYP2C19PIK3CA
SCHEMBL15667588 0.86 CYP2D6 (0.61) CYP2C9CYP2D6CYP3A4CYP2C19PIK3CA
SCHEMBL29652359 0.86 CYP2D6 (0.61) CYP2C9CYP2D6CYP3A4CYP2C19PIK3CA
SCHEMBL299251 0.86 CYP2C9 (0.64) CYP2C9CYP2D6CYP3A4CYP2C19
SCHEMBL21624474 0.85 CYP2C9 (0.63) CYP2C9CYP2D6CYP3A4CYP2C19
SCHEMBL29898573 0.85 CYP2C9 (0.63) CYP2C9CYP2D6CYP3A4CYP2C19
SCHEMBL12471452 0.84 CYP2D6 (0.61) CYP2C9CYP2D6CYP3A4CYP2C19

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-9440969-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-09-13 US disclosed
US-9440969-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-09-13 US disclosed
US-9440969-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-09-13 US disclosed
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2015-03-19 US disclosed
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2015-03-19 US disclosed
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2015-03-19 US disclosed
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2011-07-28 US disclosed
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2011-07-28 US disclosed
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2011-07-28 US disclosed
WO-2011079133-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-06-30 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-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, NRAS CYP2C9 2483/4885CYP2D6 2058/4885CYP3A4 2226/4885
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, NRAS CYP2C9 2483/4885CYP2D6 2058/4885CYP3A4 2226/4885

“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.