SCHEMBL298060

SCHEMBL298060

CS(=O)(=O)Nc1cccc(-c2cnc3[nH]cc(C(=O)c4cc(N)ccc4F)c3c2)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.51
CYP2C19 P33261 2/20 0.51
BRAF P15056 3/20 0.51
PIK3CA P42336 1/20 0.47
NTRK1 P04629 1/20 0.47
RIPK1 Q13546 3/20 0.46
CYP2D6 P10635 1/20 0.46
TNIK Q9UKE5 2/20 0.46
BTK Q06187 2/20 0.46
ITK Q08881 2/20 0.46
TYRO3 Q06418 1/20 0.46
IGF1R P08069 1/20 0.44

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
SCHEMBL297360 0.93 CYP2C9 (0.56) CYP2C9CYP2C19BRAFPIK3CARIPK1
SCHEMBL415675 0.90 CYP2C9 (0.52) CYP2C9CYP2C19BRAFPIK3CARIPK1
SCHEMBL3709933 0.90 CAMKK2 (0.51) CYP2C9CYP2C19BRAFPIK3CANTRK1
SCHEMBL298899 0.87 CAMKK2 (0.56) CYP2C9CYP2C19BRAFRIPK1CYP2D6
SCHEMBL299603 0.87 CYP2C9 (0.53) CYP2C9CYP2C19BRAFNTRK1RIPK1
SCHEMBL7879449 0.86 RIPK1 (0.47) BRAFNTRK1RIPK1BTKITK
SCHEMBL298800 0.86 TNIK (0.54) CYP2C9CYP2C19PIK3CANTRK1TNIK
SCHEMBL299140 0.86 CYP2C19 (0.59) CYP2C9CYP2C19BRAFPIK3CACYP2D6
SCHEMBL2886612 0.86 CYP2C19 (0.60) CYP2C9CYP2C19BRAFCYP2D6
SCHEMBL298449 0.86 CYP2C9 (0.53) CYP2C9CYP2C19BRAFPIK3CARIPK1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
EP-2427433-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS Plexxikon, Inc. (US) 2012-03-14 EP disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 WO disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 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 (4 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-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS BRAF, RAF1, ARAF CYP2C9 2176/4885CYP2C19 2730/4885BRAF 1/4885
US-11337976-B2 Compounds and methods for kinase modulation, and indications therefor MAP3K20, PRKACA, MAP3K13 CYP2C9 4771/4885CYP2C19 4608/4885BRAF 49/4885
US-20230277534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, PRKACA, MAP3K13 CYP2C9 4771/4885CYP2C19 4608/4885BRAF 49/4885
US-20170157120-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, PRKACA, MAP3K13 CYP2C9 4771/4885CYP2C19 4608/4885BRAF 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.