SCHEMBL299665

SCHEMBL299665

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.61
CYP2C9 P11712 7/20 0.53
CYP2C19 P33261 6/20 0.52
BRAF P15056 6/20 0.48
BMPR1B O00238 1/20 0.46
PLK4 O00444 1/20 0.46
PIR O00625 1/20 0.46
AURKA O14965 1/20 0.46
DCLK1 O15075 1/20 0.46
EPHB6 O15197 1/20 0.46
RIPK2 O43353 1/20 0.46
STK16 O75716 1/20 0.46
OXSR1 O95747 1/20 0.46
MAP4K4 O95819 1/20 0.46
ABL1 P00519 1/20 0.46
RAF1 P04049 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
FES P07332 1/20 0.46
CSF1R P07333 1/20 0.46

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
SCHEMBL2888921 0.89 CYP2C19 (0.64) CYP3A4CYP2C9CYP2C19BRAFBMPR1B
SCHEMBL16568593 0.89 BRAF (0.56) CYP3A4CYP2C9CYP2C19BRAFRIPK2
SCHEMBL1721219 0.88 CYP3A4 (0.60) CYP3A4CYP2C9CYP2C19BRAFBMPR1B
SCHEMBL13505362 0.87 BRAF (0.53) CYP3A4CYP2C9CYP2C19BRAFRIPK2
SCHEMBL13505690 0.85 BRAF (0.52) CYP3A4CYP2C9CYP2C19BRAFBMPR1B
SCHEMBL3505940 0.85 CYP2C19 (0.52) CYP3A4CYP2C9CYP2C19BRAFBMPR1B
SCHEMBL30078249 0.84 BRAF (0.62) CYP3A4CYP2C9CYP2C19BRAFBMPR1B
SCHEMBL298199 0.84 BRAF (0.62) CYP3A4CYP2C9CYP2C19BRAFBMPR1B
SCHEMBL3703309 0.84 BRAF (0.51) CYP3A4CYP2C9CYP2C19BRAFBMPR1B
SCHEMBL299151 0.84 CYP2C9 (0.66) CYP3A4CYP2C9CYP2C19BRAFPAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-09-27 US claimed
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON, INC. 2010-11-11 US claimed
US-20100286178-A1 COMPOUNDS AND USES THEREOF PLEXXIKON INC. 2010-11-11 US claimed
WO-2010129567-A1 PYRROLO [2, 3. B] PYRIDINES WHICH INHIBIT RAF PROTEIN KINASE PLEXXIKON, INC. (US) 2010-11-11 WO 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-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON, INC. 2010-11-11 US disclosed
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON, INC. 2010-11-11 US disclosed
US-20100286178-A1 COMPOUNDS AND USES THEREOF PLEXXIKON INC. 2010-11-11 US 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
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
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-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-11337976-B2 Compounds and methods for kinase modulation, and indications therefor MAP3K20, PRKACA, MAP3K13 CYP3A4 4679/4885CYP2C9 4771/4885CYP2C19 4608/4885
US-20230277534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, PRKACA, MAP3K13 CYP3A4 4679/4885CYP2C9 4771/4885CYP2C19 4608/4885
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor BRAF, ARAF, RAF1 CYP3A4 2892/4885CYP2C9 2237/4885CYP2C19 2678/4885
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-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, RAF1 CYP3A4 2892/4885CYP2C9 2237/4885CYP2C19 2678/4885
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.