SCHEMBL2600002

SCHEMBL2600002

O=S(=O)(c1ccccc1)n1cc(I)c2c(C3CCCC3)ncnc21

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 8/20 0.43
BRD4 O60885 2/20 0.41
HTR6 P50406 4/20 0.37
ACHE P22303 1/20 0.35
MET P08581 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
SRC P12931 1/20 0.33
ABL2 P42684 1/20 0.33

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
SCHEMBL2547183 0.95 BRD4 (0.43) FFAR2BRD4HTR6ACHEMET
SCHEMBL2541976 0.84 FFAR2 (0.39) FFAR2BRD4HTR6ACHE
SCHEMBL1585075 0.78 BRD4 (0.43) BRD4METCYP2C19ABL1EGFR
SCHEMBL2540233 0.78 BRD4 (0.51) BRD4HTR6METCYP2C19ALDH1A1
SCHEMBL1585008 0.78 BRD4 (0.43) BRD4HTR6METCYP2C19ALDH1A1
SCHEMBL3535463 0.77 SMN1; SMN2 (0.46) FFAR2BRD4HTR6ALDH1A1
SCHEMBL21678552 0.77 HTR6 (0.42) FFAR2BRD4HTR6ACHECYP2C19
SCHEMBL16864634 0.76 HTR6 (0.42) BRD4HTR6METCYP2C19
SCHEMBL2110804 0.75 BRD4 (0.43) BRD4HTR6METCYP2C19ALDH1A1
SCHEMBL21678686 0.74 HTR6 (0.40) FFAR2BRD4HTR6ACHEALDH1A1

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-9260437-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-02-16 US disclosed
US-9260437-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-02-16 US disclosed
US-9260437-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-02-16 US disclosed
US-20150166547-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2015-06-18 US disclosed
US-20150166547-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2015-06-18 US disclosed
US-20150166547-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2015-06-18 US disclosed
US-8912204-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2014-12-16 US disclosed
US-8912204-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2014-12-16 US disclosed
US-8912204-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2014-12-16 US disclosed
US-20120165329-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2012-06-28 US disclosed
US-20120165329-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2012-06-28 US disclosed
US-20120165329-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2012-06-28 US disclosed
US-8158636-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-04-17 US disclosed
US-8158636-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-04-17 US disclosed
WO-2009143018-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2009-11-26 WO disclosed
US-20090286782-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2009-11-19 US disclosed
US-20090286782-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2009-11-19 US disclosed
US-20090286782-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2009-11-19 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 (3 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-20150166547-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PRKDC, PRKACA, PRKACG FFAR2 1946/4885BRD4 4621/4885HTR6 2141/4885
US-20090286782-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PRKDC, PRKACA, PRKACG FFAR2 1946/4885BRD4 4621/4885HTR6 2141/4885
US-20120165329-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PRKDC, PRKACA, PRKACG FFAR2 1946/4885BRD4 4621/4885HTR6 2141/4885

“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.