SCHEMBL412736

SCHEMBL412736

CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Cl)c1F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
CYP3A4 P08684 1/20 0.60
BRAF P15056 17/20 0.58
RIPK2 O43353 2/20 0.55
RAF1 P04049 2/20 0.55
KDR P35968 2/20 0.55
MAP2K2 P36507 2/20 0.55
TGFBR2 P37173 2/20 0.55
NEK2 P51955 2/20 0.55
MAP2K1 Q02750 2/20 0.55
TNK2 Q07912 2/20 0.55
MAP2K5 Q13163 2/20 0.55
PTK6 Q13882 2/20 0.55
NEK11 Q8NG66 2/20 0.55
MAP3K20 Q9NYL2 2/20 0.55
MAP4K5 Q9Y4K4 2/20 0.55
MAP2K4 P45985 2/20 0.55
BMPR1B O00238 1/20 0.55
PLK4 O00444 1/20 0.55

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
SCHEMBL3014832 0.88 BRAF (0.56) CYP2C9CYP2C19CYP3A4BRAFRIPK2
SCHEMBL855654 0.87 CYP3A4 (0.62) CYP2C9CYP2C19CYP3A4BRAFRIPK2
SCHEMBL413368 0.87 CYP3A4 (0.62) CYP2C9CYP2C19CYP3A4BRAFRIPK2
SCHEMBL12468027 0.86 CYP3A4 (0.60) CYP2C9CYP2C19CYP3A4BRAFRIPK2
SCHEMBL1492058 0.86 CYP3A4 (0.60) CYP2C9CYP2C19CYP3A4BRAFRIPK2
SCHEMBL1868892 0.85 CYP3A4 (0.59) CYP2C9CYP2C19CYP3A4BRAFRIPK2
SCHEMBL26393133 0.85 BRAF (0.64) CYP2C9CYP2C19CYP3A4BRAF
SCHEMBL23098882 0.83 CYP2C19 (0.56) CYP2C9CYP2C19CYP3A4BRAFRIPK2
SCHEMBL16066858 0.83 BRAF (0.57) CYP2C9CYP2C19CYP3A4BRAFRIPK2
SCHEMBL8240987 0.80 CYP3A4 (0.53) CYP2C9CYP2C19CYP3A4BRAFRIPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858927-B2 Protein kinase MKK4 inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death HEPAREGENIX GMBH (DE) 2024-01-02 US disclosed
US-20210078995-A1 PROTEIN KINASE MKK4 INHIBITORS FOR PROMOTING LIVER REGENERATION OR REDUCING OR PREVENTING HEPATOCYTE DEATH HEPAREGENIX GMBH (DE) 2021-03-18 US disclosed
CN-107722013-B Deazapurine compounds, pharmaceutical compositions, preparation method and uses thereof 中国科学院上海药物研究所 2021-01-12 CN disclosed
CN-109970733-B Simple preparation method of vemurafenib and analogue thereof 新发药业有限公司 2020-05-08 CN disclosed
US-10414764-B2 Substantially pure vemurafenib and its salts SHILPA MEDICARE LIMITED 2019-09-17 US disclosed
WO-2019149738-A1 PROTEIN KINASE MKK4 INHIBITORS FOR PROMOTING LIVER REGENERATION OR REDUCING OR PREVENTING HEPATOCYTE DEATH HEPAREGENIX GMBH (DE) 2019-08-08 WO disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20170320872-A1 SUBSTANTIALLY PURE VEMURAFENIB AND ITS SALTS SHILPA MEDICARE LIMITED (IN) 2017-11-09 US disclosed
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2010-10-07 US disclosed
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2010-10-07 US disclosed
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2010-10-07 US disclosed
US-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON INC. 2010-09-30 US disclosed
US-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON INC. 2010-09-30 US disclosed
US-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON INC. 2010-09-30 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-2009111280-A1 N- (6-AMINOPYRIDIN-3-YL) -3- (SULFONAMIDO) BENZAMIDE DERIVATIVES AS B-RAF INHIBITORS FOR THE TREATMENT OF CANCER ARRAY BIOPHARMA INC. (US) 2009-09-11 WO disclosed
EP-1893612-A1 PYRROLO [2, 3-B]PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2008-03-05 EP disclosed
WO-2007002433-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 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-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents MAP4K1, MAP4K2, MAP3K1 CYP2C9 4869/4885CYP2C19 4868/4885CYP3A4 4851/4885
US-20210078995-A1 PROTEIN KINASE MKK4 INHIBITORS FOR PROMOTING LIVER REGENERATION OR REDUCING OR PREVENTING HEPATOCYTE DEATH MAPK4, MAP3K4, MAP4K1 CYP2C9 2756/4885CYP2C19 4255/4885CYP3A4 971/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP2C9 4746/4885CYP2C19 4579/4885CYP3A4 4658/4885
US-20170320872-A1 SUBSTANTIALLY PURE VEMURAFENIB AND ITS SALTS BRAF, RAF1, NRAS CYP2C9 233/4885CYP2C19 393/4885CYP3A4 701/4885
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP2C9 4746/4885CYP2C19 4579/4885CYP3A4 4658/4885
US-11858927-B2 Protein kinase MKK4 inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death MAPK4, MAP3K4, MAP4K1 CYP2C9 2756/4885CYP2C19 4255/4885CYP3A4 971/4885
US-10414764-B2 Substantially pure vemurafenib and its salts BRAF, RAF1, NRAS CYP2C9 233/4885CYP2C19 393/4885CYP3A4 701/4885

“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.