SCHEMBL878464

SCHEMBL878464

CCCS(=O)(=O)Nc1cccc(C(=O)OC)c1F

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.53
CYP2C9 P11712 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
KCNA5 P22460 1/20 0.47
KCNK3 O14649 1/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 2/20 0.45
FFAR4 Q5NUL3 1/20 0.43
KMT2A Q03164 1/20 0.42
FABP4 P15090 1/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL855793 0.86 BRAF (0.54) BRAFCYP2C9CYP3A4CYP2C19KCNA5
SCHEMBL856018 0.86 BRAF (0.57) BRAFCYP2C9CYP3A4CYP2C19KCNA5
SCHEMBL29796894 0.86 BRAF (0.54) BRAFCYP2C9CYP3A4CYP2C19KCNA5
SCHEMBL1873297 0.86 BRAF (0.42) BRAFALDH1A1KDM4EMAPTHPGD
SCHEMBL9930242 0.85 BRAF (0.53) BRAFCYP2C9CYP3A4CYP2C19KCNA5
SCHEMBL411593 0.85 BRAF (0.53) BRAFCYP2C9CYP3A4CYP2C19KCNA5
SCHEMBL20408717 0.85 FFAR4 (0.60) CYP2C19KCNA5KCNK3ALDH1A1KDM4E
SCHEMBL1866704 0.84 KCNA5 (0.47) BRAFCYP2C19KCNA5KCNK3ALDH1A1
SCHEMBL9988153 0.82 BRAF (0.39) BRAFCYP2C19KCNA5KCNK3ALDH1A1
SCHEMBL16266453 0.80 KDM4E (0.43) BRAFALDH1A1KDM4ELMNAFFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3088400-A1 PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON INC. (US) 2016-11-02 EP disclosed
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 US disclosed
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 US disclosed
EP-2395004-B1 Pyrrolo [2,3-b]pyridine derivatives as protein kinase inhibitors PLEXXIKON INC (US) 2016-01-20 EP disclosed
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2015-10-15 US disclosed
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2015-10-15 US disclosed
US-8901301-B2 Pyrrolo[2,3-]pyridine kinase inhibitors PLEXXIKON INC. (US) 2014-12-02 US disclosed
US-8901301-B2 Pyrrolo[2,3-]pyridine kinase inhibitors PLEXXIKON INC. (US) 2014-12-02 US disclosed
WO-2009152087-A1 BICYCLIC HETEROARYL COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2009-12-17 WO disclosed
US-20090306087-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON, INC. 2009-12-10 US disclosed
US-20090306087-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON, INC. 2009-12-10 US disclosed
US-20090306087-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON, INC. 2009-12-10 US disclosed
WO-2009143024-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2009-11-26 WO disclosed
US-20090286783-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2009-11-19 US disclosed
US-20090286783-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2009-11-19 US disclosed
US-20090286783-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2009-11-19 US 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 (5 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-20090286783-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, PRKACA, RAF1 BRAF 1/4885CYP2C9 2304/4885CYP3A4 3358/4885
US-20090306087-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor BRAF, PRKACA, RAF1 BRAF 1/4885CYP2C9 2417/4885CYP3A4 3520/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 BRAF 48/4885CYP2C9 4746/4885CYP3A4 4658/4885
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 BRAF 48/4885CYP2C9 4746/4885CYP3A4 4658/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 BRAF 48/4885CYP2C9 4746/4885CYP3A4 4658/4885

“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.