SCHEMBL298407

SCHEMBL298407

COc1ncc(-c2cnc3[nH]cc(C(=O)c4c(F)ccc(C(N)=O)c4F)c3c2)cn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 8/20 0.66
CYP2D6 P10635 2/20 0.66
CYP2C19 P33261 8/20 0.56
CYP3A4 P08684 2/20 0.54
BRAF P15056 3/20 0.53
RIPK2 O43353 1/20 0.52
ABCB11 O95342 1/20 0.52
EGFR P00533 1/20 0.52
KRAS P01116 1/20 0.52
RAF1 P04049 1/20 0.52
PGR P06401 1/20 0.52
RET P07949 1/20 0.52
CHRM2 P08172 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
ARAF P10398 1/20 0.52
CHRM1 P11229 1/20 0.52
CHRM3 P20309 1/20 0.52
FECH P22830 1/20 0.52
KDR P35968 1/20 0.52
MAP2K2 P36507 1/20 0.52

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
SCHEMBL2354144 0.90 BRAF (0.57) CYP2C9CYP2D6CYP2C19CYP3A4BRAF
SCHEMBL298234 0.89 CYP2C9 (0.67) CYP2C9CYP2D6CYP2C19CYP3A4BRAF
SCHEMBL2886676 0.89 CYP2C9 (0.56) CYP2C9CYP2D6CYP2C19CYP3A4BRAF
SCHEMBL299747 0.89 CYP2C19 (0.67) CYP2C9CYP2D6CYP2C19CYP3A4BRAF
SCHEMBL16568396 0.89 CYP2C9 (0.53) CYP2C9CYP2D6CYP2C19CYP3A4BRAF
SCHEMBL3714012 0.89 AAK1 (0.59) CYP2C9CYP2D6CYP2C19CYP3A4BRAF
SCHEMBL297833 0.89 CYP2C19 (0.55) CYP2C9CYP2D6CYP2C19CYP3A4BRAF
SCHEMBL2886982 0.88 CYP2C19 (0.67) CYP2C9CYP2D6CYP2C19CYP3A4BRAF
SCHEMBL13505211 0.87 CYP2C19 (0.56) CYP2C9CYP2D6CYP2C19CYP3A4BRAF
SCHEMBL2890280 0.87 CYP2C9 (0.66) CYP2C9CYP2D6CYP2C19CYP3A4BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901301-B2 Pyrrolo[2,3-]pyridine kinase inhibitors PLEXXIKON INC. (US) 2014-12-02 US claimed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US claimed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 WO 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-20230277534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2023-09-07 US disclosed
US-20230133044-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS BROWN DENNIS M (US) 2023-05-04 US disclosed
US-11337976-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2022-05-24 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-2872161-B1 DIANHYDROGALACTITOL FOR USE IN TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS DEL MAR PHARMACEUTICALS (CA) 2020-12-16 EP disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
CN-102421776-A Pyrrolo [2,3-b ] pyridine derivatives for Raf kinase inhibition PLEXXIKON INC 2012-04-18 CN disclosed
EP-2427433-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS Plexxikon, Inc. (US) 2012-03-14 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 CYP2C9 871/4885CYP2D6 349/4885CYP2C19 1536/4885
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS BRAF, RAF1, ARAF CYP2C9 2176/4885CYP2D6 3025/4885CYP2C19 2730/4885
US-20210251944-A1 METHODS FOR TREATING A CANCER RESISTANT TO AT LEAST ONE TYROSINE KINASE INHIBITOR DCLRE1B, AIPL1, WHR1 CYP2C9 4816/4885CYP2D6 4238/4885CYP2C19 4731/4885
US-11337976-B2 Compounds and methods for kinase modulation, and indications therefor MAP3K20, PRKACA, MAP3K13 CYP2C9 4771/4885CYP2D6 4450/4885CYP2C19 4608/4885
US-20230277534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, PRKACA, MAP3K13 CYP2C9 4771/4885CYP2D6 4450/4885CYP2C19 4608/4885
US-11026914-B2 Use of dianhydrogalactitol and analogs and derivatives thereof to treat recurrent malignant glioma or progressive secondary brain tumor DDOST, DAD1, PHGDH CYP2C9 4097/4885CYP2D6 2609/4885CYP2C19 3893/4885
US-20100286178-A1 COMPOUNDS AND USES THEREOF BRAF, RAF1, FER CYP2C9 2194/4885CYP2D6 2378/4885CYP2C19 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.