SCHEMBL2889134

SCHEMBL2889134

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.63
CYP2C19 P33261 10/20 0.61
CYP3A4 P08684 3/20 0.59
RIPK2 O43353 2/20 0.52
RAF1 P04049 2/20 0.52
KDR P35968 2/20 0.52
MAP2K2 P36507 2/20 0.52
TGFBR2 P37173 2/20 0.52
NEK2 P51955 2/20 0.52
MAP2K1 Q02750 2/20 0.52
TNK2 Q07912 2/20 0.52
MAP2K5 Q13163 2/20 0.52
PTK6 Q13882 2/20 0.52
NEK11 Q8NG66 2/20 0.52
MAP3K20 Q9NYL2 2/20 0.52
MAP4K5 Q9Y4K4 2/20 0.52
BMPR1B O00238 1/20 0.52
PLK4 O00444 1/20 0.52
PIR O00625 1/20 0.52
AURKA O14965 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
SCHEMBL3505935 0.89 CYP2C19 (0.52) BRAFCYP2C19CYP3A4RIPK2RAF1
SCHEMBL2352247 0.88 BRAF (0.63) BRAFCYP2C19CYP3A4RIPK2RAF1
SCHEMBL3703307 0.88 BRAF (0.51) BRAFCYP2C19CYP3A4RIPK2RAF1
SCHEMBL293715 0.88 BRAF (0.64) BRAFCYP2C19CYP3A4RIPK2RAF1
SCHEMBL13505689 0.88 BRAF (0.53) BRAFCYP2C19CYP3A4RIPK2RAF1
SCHEMBL299747 0.87 CYP2C19 (0.67) BRAFCYP2C19CYP3A4RIPK2RAF1
SCHEMBL2354890 0.87 BRAF (0.64) BRAFCYP2C19CYP3A4RIPK2RAF1
SCHEMBL3509764 0.86 BRAF (0.53) BRAFCYP2C19CYP3A4RIPK2RAF1
SCHEMBL2356427 0.86 BRAF (0.50) BRAFCYP2C19CYP3A4RIPK2RAF1
SCHEMBL300012 0.86 CYP2C19 (0.58) BRAFCYP2C19CYP3A4RIPK2RAF1

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 18 patents. 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
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-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-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-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-2672967-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2013-12-18 EP disclosed
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-09-27 US disclosed
WO-2012109075-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2012-08-16 WO disclosed
US-8198273-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-06-12 US disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US 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

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 BRAF 95/4885CYP2C19 4868/4885CYP3A4 4851/4885
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS BRAF, RAF1, ARAF BRAF 1/4885CYP2C19 2730/4885CYP3A4 3611/4885
US-11337976-B2 Compounds and methods for kinase modulation, and indications therefor MAP3K20, PRKACA, MAP3K13 BRAF 49/4885CYP2C19 4608/4885CYP3A4 4679/4885
US-20230277534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, PRKACA, MAP3K13 BRAF 49/4885CYP2C19 4608/4885CYP3A4 4679/4885
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor BRAF, ARAF, RAF1 BRAF 1/4885CYP2C19 2678/4885CYP3A4 2892/4885
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, RAF1 BRAF 1/4885CYP2C19 2678/4885CYP3A4 2892/4885
US-20170157120-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, PRKACA, MAP3K13 BRAF 49/4885CYP2C19 4608/4885CYP3A4 4679/4885

“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.