SCHEMBL1720729

SCHEMBL1720729

N#Cc1cnc2[nH]cc(C(=O)c3cccc(C(N)=O)c3F)c2c1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 5/20 0.66
CYP3A4 P08684 3/20 0.61
PAK1 Q13153 4/20 0.44
CYP2C19 P33261 1/20 0.41
NTRK1 P04629 1/20 0.40
PARP1 P09874 2/20 0.40
BRAF P15056 1/20 0.40
NEK2 P51955 1/20 0.39
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38

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
SCHEMBL299151 0.89 CYP2C9 (0.66) CYP2C9CYP3A4PAK1CYP2C19NTRK1
SCHEMBL2351339 0.85 CYP2C9 (0.48) CYP2C9CYP3A4PAK1CYP2C19NTRK1
SCHEMBL1721219 0.85 CYP3A4 (0.60) CYP2C9CYP3A4PAK1CYP2C19BRAF
SCHEMBL2883743 0.83 CYP2C9 (0.46) CYP2C9CYP3A4PAK1NTRK1BRAF
SCHEMBL3705466 0.83 CYP3A4 (0.52) CYP2C9CYP3A4PAK1CYP2C19NTRK1
SCHEMBL3506159 0.83 BRAF (0.51) CYP2C9CYP3A4PAK1NTRK1BRAF
SCHEMBL2357072 0.83 CYP2C9 (0.49) CYP2C9CYP3A4PAK1CYP2C19BRAF
SCHEMBL15667244 0.82 CYP2C9 (0.60) CYP2C9CYP3A4PAK1CYP2C19
SCHEMBL3707349 0.82 CYP2C9 (0.44) CYP2C9CYP3A4NTRK1PARP1
SCHEMBL3506669 0.81 AXL (0.58) CYP2C9PAK1NTRK1NEK2JAK3

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 54 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
WO-2010129567-A1 PYRROLO [2, 3. B] PYRIDINES WHICH INHIBIT RAF PROTEIN KINASE PLEXXIKON, INC. (US) 2010-11-11 WO 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-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
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-2010129567-A1 PYRROLO [2, 3. B] PYRIDINES WHICH INHIBIT RAF PROTEIN KINASE PLEXXIKON, INC. (US) 2010-11-11 WO 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
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 CYP2C9 871/4885CYP3A4 1288/4885PAK1 2576/4885
US-20210251944-A1 METHODS FOR TREATING A CANCER RESISTANT TO AT LEAST ONE TYROSINE KINASE INHIBITOR DCLRE1B, AIPL1, WHR1 CYP2C9 4816/4885CYP3A4 4591/4885PAK1 1972/4885
US-11337976-B2 Compounds and methods for kinase modulation, and indications therefor MAP3K20, PRKACA, MAP3K13 CYP2C9 4771/4885CYP3A4 4679/4885PAK1 179/4885
US-20230277534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, PRKACA, MAP3K13 CYP2C9 4771/4885CYP3A4 4679/4885PAK1 179/4885
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor BRAF, ARAF, RAF1 CYP2C9 2237/4885CYP3A4 2892/4885PAK1 40/4885
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 4097/4885CYP3A4 3525/4885PAK1 2397/4885
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, RAF1 CYP2C9 2237/4885CYP3A4 2892/4885PAK1 40/4885
US-20100286178-A1 COMPOUNDS AND USES THEREOF BRAF, RAF1, FER CYP2C9 2194/4885CYP3A4 3815/4885PAK1 11/4885

“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.