SCHEMBL77863

SCHEMBL77863

C#Cc1ccnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4)c3F)c12

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 8/20 0.67
CYP2C9 P11712 8/20 0.67
CYP3A4 P08684 11/20 0.65

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
SCHEMBL77073 0.92 CYP3A4 (0.75) CYP2C19CYP2C9CYP3A4
SCHEMBL1823367 0.88 CYP2C19 (0.71) CYP2C19CYP2C9CYP3A4
SCHEMBL298612 0.87 CYP2C19 (0.51) CYP2C19CYP2C9CYP3A4
SCHEMBL299480 0.85 CYP3A4 (0.75) CYP2C19CYP2C9CYP3A4
SCHEMBL287906 0.83 CYP2C19 (0.66) CYP2C19CYP2C9CYP3A4
SCHEMBL1086108 0.83 CYP2C19 (0.81) CYP2C19CYP2C9CYP3A4
SCHEMBL1817466 0.83 CYP2C19 (0.79) CYP2C19CYP2C9CYP3A4
SCHEMBL297522 0.83 CYP3A4 (0.80) CYP2C19CYP2C9CYP3A4
SCHEMBL1816944 0.83 CYP2C19 (0.79) CYP2C19CYP2C9CYP3A4
SCHEMBL1818579 0.82 CYP2C19 (0.77) CYP2C19CYP2C9CYP3A4

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165366-A1 COMPOUNDS AND USES THEREOF PLEXXIKON INC. 2012-06-28 US claimed
US-8129404-B2 Compounds and uses thereof PLEXXIKON INC. (US) 2012-03-06 US claimed
EP-2406260-A1 PYRROLO [2, 3-B]PYRIDINE DERIVATIVES FOR THE INHIBITION OF RAF KINASES PLEXXIKON, INC. (US) 2012-01-18 EP claimed
US-20100234418-A1 COMPOUNDS AND USES THEREOF PLEXXIKON, INC. 2010-09-16 US claimed
WO-2010104973-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES FOR THE INHIBITION OF RAF KINASES PLEXXIKON, INC. (US) 2010-09-16 WO claimed
EP-2501236-B1 N-[2-fluoro-3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-4-benzenesulfonamide derivatives as Raf protein kinase modulators for the treatment of cancer PLEXXIKON INC (US) 2017-03-29 EP disclosed
US-9296811-B2 Methods for treating a tumor using an antibody that specifically binds HMW-MAA University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2016-03-29 US disclosed
US-20140234324-A1 METHODS FOR TREATING A TUMOR USING AN ANTIBODY THAT SPECIFICALLY BINDS GRP94 UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-08-21 US disclosed
US-8771687-B2 Methods for treating a tumor using an antibody that specifically binds GRP94 University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2014-07-08 US disclosed
EP-2646054-A1 METHODS FOR TREATING A TUMOR USING AN ANTIBODY THAT SPECIFICALLY BINDS GRP94 University of Pittsburgh - Of the Commonwealth System of Higher Education (US) 2013-10-09 EP disclosed
US-20130259873-A1 METHODS FOR TREATING A TUMOR USING AN ANTIBODY THAT SPECIFICALLY BINDS HMW-MAA UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2013-10-03 US disclosed
US-20120165366-A1 COMPOUNDS AND USES THEREOF PLEXXIKON INC. 2012-06-28 US disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 WO disclosed
US-20100234418-A1 COMPOUNDS AND USES THEREOF PLEXXIKON, INC. 2010-09-16 US disclosed
US-20100234418-A1 COMPOUNDS AND USES THEREOF PLEXXIKON, INC. 2010-09-16 US disclosed
US-20100234418-A1 COMPOUNDS AND USES THEREOF PLEXXIKON, INC. 2010-09-16 US disclosed
US-20100234418-A1 COMPOUNDS AND USES THEREOF PLEXXIKON, INC. 2010-09-16 US disclosed
WO-2010104973-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES FOR THE INHIBITION OF RAF KINASES PLEXXIKON, INC. (US) 2010-09-16 WO disclosed
WO-2010104973-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES FOR THE INHIBITION OF RAF KINASES PLEXXIKON, INC. (US) 2010-09-16 WO disclosed
WO-2010104973-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES FOR THE INHIBITION OF RAF KINASES PLEXXIKON, INC. (US) 2010-09-16 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 (4 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-20100234418-A1 COMPOUNDS AND USES THEREOF BRAF, PKD1, RAF1 CYP2C19 1818/4885CYP2C9 1862/4885CYP3A4 3037/4885
US-20130259873-A1 METHODS FOR TREATING A TUMOR USING AN ANTIBODY THAT SPECIFICALLY BINDS HMW-MAA PA2G4, BRAF, HSPA1A CYP2C19 4751/4885CYP2C9 4793/4885CYP3A4 4504/4885
US-20140234324-A1 METHODS FOR TREATING A TUMOR USING AN ANTIBODY THAT SPECIFICALLY BINDS GRP94 LY96, HSPA2, BRAF CYP2C19 4766/4885CYP2C9 4865/4885CYP3A4 4791/4885
US-20120165366-A1 COMPOUNDS AND USES THEREOF BRAF, PKD1, RAF1 CYP2C19 1818/4885CYP2C9 1862/4885CYP3A4 3037/4885

“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.