SCHEMBL298802

SCHEMBL298802

N#Cc1cnc2[nH]cc(C(=O)c3c(F)ccc(NS(=O)(=O)c4cccc(F)c4)c3F)c2c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 10/20 0.81
CYP2C9 P11712 11/20 0.80
CYP2C19 P33261 5/20 0.63
CYP2D6 P10635 1/20 0.57
BRAF P15056 2/20 0.54
BMPR1B O00238 1/20 0.54
PLK4 O00444 1/20 0.54
PIR O00625 1/20 0.54
AURKA O14965 1/20 0.54
DCLK1 O15075 1/20 0.54
EPHB6 O15197 1/20 0.54
RIPK2 O43353 1/20 0.54
STK16 O75716 1/20 0.54
OXSR1 O95747 1/20 0.54
MAP4K4 O95819 1/20 0.54
ABL1 P00519 1/20 0.54
RAF1 P04049 1/20 0.54
LCK P06239 1/20 0.54
FYN P06241 1/20 0.54
FES P07332 1/20 0.54

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
SCHEMBL298244 0.92 CYP3A4 (0.84) CYP3A4CYP2C9CYP2C19CYP2D6BRAF
SCHEMBL2162818 0.92 CYP3A4 (0.73) CYP3A4CYP2C9CYP2C19CYP2D6BRAF
SCHEMBL297958 0.91 CYP3A4 (0.79) CYP3A4CYP2C9CYP2C19CYP2D6BRAF
SCHEMBL2164955 0.90 CYP3A4 (0.75) CYP3A4CYP2C9CYP2C19CYP2D6BRAF
SCHEMBL299579 0.89 CYP3A4 (0.72) CYP3A4CYP2C9CYP2C19CYP2D6BRAF
SCHEMBL292446 0.89 CYP3A4 (1.00) CYP3A4CYP2C9CYP2C19CYP2D6BRAF
SCHEMBL298913 0.89 CYP3A4 (0.76) CYP3A4CYP2C9CYP2C19CYP2D6BRAF
SCHEMBL291570 0.89 CYP2C9 (1.00) CYP3A4CYP2C9CYP2C19CYP2D6BRAF
SCHEMBL410805 0.89 CYP3A4 (0.84) CYP3A4CYP2C9CYP2C19CYP2D6BRAF
SCHEMBL298954 0.88 CYP3A4 (0.80) CYP3A4CYP2C9CYP2C19CYP2D6BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406259-A1 PYRROLO [2, 3-B]PYRIDINE DERIVATIVES FOR THE INHIBITION OF RAF KINASES PLEXXIKON, INC. (US) 2012-01-18 EP claimed
US-20100286178-A1 COMPOUNDS AND USES THEREOF PLEXXIKON INC. 2010-11-11 US claimed
WO-2010104945-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES FOR THE INHIBITION OF RAF KINASES PLEXXIKON, INC. (US) 2010-09-16 WO claimed
US-20250312347-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS BROWN DENNIS M (US) 2025-10-09 US disclosed
US-12336993-B2 Therapeutic benefit of suboptimally administered chemical compounds BROWN DENNIS M (US) 2025-06-24 US disclosed
US-20230133044-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS BROWN DENNIS M (US) 2023-05-04 US disclosed
US-11491154-B2 Therapeutic benefit of suboptimally administered chemical compounds BROWN DENNIS M (US) 2022-11-08 US disclosed
US-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2022-09-20 US disclosed
US-20210251944-A1 METHODS FOR TREATING A CANCER RESISTANT TO AT LEAST ONE TYROSINE KINASE INHIBITOR DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2021-08-19 US disclosed
US-11026914-B2 Use of dianhydrogalactitol and analogs and derivatives thereof to treat recurrent malignant glioma or progressive secondary brain tumor DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2021-06-08 US disclosed
CN-112755193-A Method of treating malignancies with anti-tyrosine kinase inhibitors using dianhydrogalactitol or a derivative thereof 德玛医药 2021-05-07 CN disclosed
EP-2406259-A1 PYRROLO [2, 3-B]PYRIDINE DERIVATIVES FOR THE INHIBITION OF RAF KINASES PLEXXIKON, INC. (US) 2012-01-18 EP disclosed
EP-2406259-A1 PYRROLO [2, 3-B]PYRIDINE DERIVATIVES FOR THE INHIBITION OF RAF KINASES PLEXXIKON, INC. (US) 2012-01-18 EP disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 WO disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 WO disclosed
US-20100286178-A1 COMPOUNDS AND USES THEREOF PLEXXIKON INC. 2010-11-11 US disclosed
US-20100286178-A1 COMPOUNDS AND USES THEREOF PLEXXIKON INC. 2010-11-11 US disclosed
US-20100286178-A1 COMPOUNDS AND USES THEREOF PLEXXIKON INC. 2010-11-11 US disclosed
WO-2010104945-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES FOR THE INHIBITION OF RAF KINASES PLEXXIKON, INC. (US) 2010-09-16 WO disclosed
WO-2010104945-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 (8 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-20230133044-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS UNG, DPYD, TPMT CYP3A4 1288/4885CYP2C9 871/4885CYP2C19 1536/4885
US-20250312347-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS UNG, DPYD, TPMT CYP3A4 1288/4885CYP2C9 871/4885CYP2C19 1536/4885
US-11491154-B2 Therapeutic benefit of suboptimally administered chemical compounds UNG, DPYD, TPMT CYP3A4 1288/4885CYP2C9 871/4885CYP2C19 1536/4885
US-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DCK, CDC7, DNMT1 CYP3A4 3203/4885CYP2C9 4092/4885CYP2C19 4082/4885
US-20210251944-A1 METHODS FOR TREATING A CANCER RESISTANT TO AT LEAST ONE TYROSINE KINASE INHIBITOR DCLRE1B, AIPL1, WHR1 CYP3A4 4591/4885CYP2C9 4816/4885CYP2C19 4731/4885
US-12336993-B2 Therapeutic benefit of suboptimally administered chemical compounds UNG, DPYD, TPMT CYP3A4 1288/4885CYP2C9 871/4885CYP2C19 1536/4885
US-11026914-B2 Use of dianhydrogalactitol and analogs and derivatives thereof to treat recurrent malignant glioma or progressive secondary brain tumor DDOST, DAD1, PHGDH CYP3A4 3525/4885CYP2C9 4097/4885CYP2C19 3893/4885
US-20100286178-A1 COMPOUNDS AND USES THEREOF BRAF, RAF1, FER CYP3A4 3815/4885CYP2C9 2194/4885CYP2C19 3265/4885

“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.