SCHEMBL298805

SCHEMBL298805

COc1cnc2[nH]cc(C(=O)c3c(F)ccc(N)c3F)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 6/20 0.50
CYP2D6 P10635 2/20 0.50
BRAF P15056 6/20 0.49
RIPK2 O43353 2/20 0.48
RAF1 P04049 2/20 0.48
KDR P35968 2/20 0.48
MAP2K2 P36507 2/20 0.48
TGFBR2 P37173 2/20 0.48
NEK2 P51955 2/20 0.48
MAP2K1 Q02750 2/20 0.48
TNK2 Q07912 2/20 0.48
MAP2K5 Q13163 2/20 0.48
PTK6 Q13882 2/20 0.48
NEK11 Q8NG66 2/20 0.48
MAP3K20 Q9NYL2 2/20 0.48
MAP4K5 Q9Y4K4 2/20 0.48
BMPR1B O00238 1/20 0.48
PLK4 O00444 1/20 0.48
PIR O00625 1/20 0.48
AURKA O14965 1/20 0.48

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
SCHEMBL3506740 0.90 BRAF (0.52) CYP2C9CYP2D6BRAFRIPK2RAF1
SCHEMBL2351759 0.89 BRAF (0.47) CYP2C9CYP2D6BRAFRIPK2RAF1
SCHEMBL2355594 0.89 BRAF (0.58) CYP2C9CYP2D6BRAFRIPK2RAF1
SCHEMBL2356427 0.88 BRAF (0.50) CYP2C9CYP2D6BRAFRIPK2RAF1
SCHEMBL2355351 0.86 CYP2D6 (0.57) CYP2C9CYP2D6BRAFRIPK2RAF1
SCHEMBL298234 0.86 CYP2C9 (0.67) CYP2C9CYP2D6BRAFRIPK2RAF1
SCHEMBL293715 0.86 BRAF (0.64) CYP2C9CYP2D6BRAFRIPK2RAF1
SCHEMBL3505940 0.85 CYP2C19 (0.52) CYP2C9CYP2D6BRAFRIPK2RAF1
SCHEMBL13505690 0.85 BRAF (0.52) CYP2C9CYP2D6BRAFRIPK2RAF1
SCHEMBL3703309 0.84 BRAF (0.51) CYP2C9CYP2D6BRAFRIPK2RAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470818-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2013-06-25 US claimed
EP-1893612-B1 PYRROLO [2, 3-B]PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON INC (US) 2011-08-03 EP claimed
US-7863289-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON, INC. (US) 2011-01-04 US claimed
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 claimed
US-20080167338-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-07-10 US claimed
US-20230277534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2023-09-07 US disclosed
US-11337976-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2022-05-24 US disclosed
EP-2672967-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-10-17 EP disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20170157120-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2017-06-08 US disclosed
US-9624213-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-04-18 US disclosed
EP-3088400-A1 PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON INC. (US) 2016-11-02 EP 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
EP-2097414-A1 PYRROLO [2, 3-B]PYRIDINE DERIVATIVES AS KINASE MODULATORS PLEXXIKON, INC. (US) 2009-09-09 EP disclosed
US-20080167338-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-07-10 US disclosed
WO-2008079906-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS KINASE MODULATORS PLEXXIKON, INC. (US) 2008-07-03 WO disclosed
EP-1893612-A1 PYRROLO [2, 3-B]PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2008-03-05 EP disclosed
WO-2007002325-A1 PYRROLO[2,3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO 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 4869/4885CYP2D6 4769/4885BRAF 95/4885
US-20080167338-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP2C9 4746/4885CYP2D6 4480/4885BRAF 48/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP2C9 4746/4885CYP2D6 4480/4885BRAF 48/4885
US-11337976-B2 Compounds and methods for kinase modulation, and indications therefor MAP3K20, PRKACA, MAP3K13 CYP2C9 4771/4885CYP2D6 4450/4885BRAF 49/4885
US-20230277534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, PRKACA, MAP3K13 CYP2C9 4771/4885CYP2D6 4450/4885BRAF 49/4885
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CYP2C9 4746/4885CYP2D6 4480/4885BRAF 48/4885
US-20170157120-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, PRKACA, MAP3K13 CYP2C9 4771/4885CYP2D6 4450/4885BRAF 49/4885

“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.