SCHEMBL159667

SCHEMBL159667

Cn1cnc(Nc2nc(S(=O)(=O)c3ccc(F)cc3)cc3ccccc23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.43
JAK3 P52333 9/20 0.43
ITK Q08881 1/20 0.42
JAK1 P23458 5/20 0.40
SCN9A Q15858 1/20 0.37
PAK4 O96013 1/20 0.37
AURKA O14965 1/20 0.37
ABL1 P00519 1/20 0.37
NTRK1 P04629 1/20 0.37
RET P07949 1/20 0.37
FGR P09769 1/20 0.37
FGFR1 P11362 1/20 0.37
CSNK2A2 P19784 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
FLT3 P36888 1/20 0.37
LIMK1 P53667 1/20 0.37
SIK1 P57059 1/20 0.37
PRKCZ Q05513 1/20 0.37
ALK Q9UM73 1/20 0.37

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
SCHEMBL15366464 0.93 JAK2 (0.38) JAK2JAK3ITKJAK1SCN9A
SCHEMBL10246013 0.88 JAK2 (0.46) JAK2JAK3ITKJAK1SCN9A
SCHEMBL165435 0.87 GRK6 (0.39) HTR6
SCHEMBL177328 0.77 AURKA (0.52) JAK2JAK3JAK1AURKANTRK1
SCHEMBL174448 0.77 HTR6 (0.38) KDRLIMK1HTR6
SCHEMBL254830 0.77 AKR1B1 (0.38) AURKANTRK1KDRLIMK1HTR6
SCHEMBL173272 0.75 AKR1B1 (0.39) JAK2JAK3JAK1AURKANTRK1
SCHEMBL178180 0.75 AURKA (0.40) JAK2JAK3JAK1AURKANTRK1
SCHEMBL163371 0.75 EGFR (0.47) SCN9AKDRPOLB
SCHEMBL162741 0.74 GSK3A (0.49) ITKSCN9ACSNK2A2KDRHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2663553-B1 QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR USE AS JAK MODULATORS AMBIT BIOSCIENCES CORP (US) 2015-08-26 EP claimed
US-20130296363-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR USE AS JAK MODULATORS AMBIT BIOSCIENCES CORPORATION (US) 2013-11-07 US claimed
EP-2663553-B1 QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR USE AS JAK MODULATORS AMBIT BIOSCIENCES CORP (US) 2015-08-26 EP disclosed
EP-2663553-A2 QUINOLINE AND ISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-11-20 EP disclosed
US-20130296363-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR USE AS JAK MODULATORS AMBIT BIOSCIENCES CORPORATION (US) 2013-11-07 US disclosed
US-20130296363-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR USE AS JAK MODULATORS AMBIT BIOSCIENCES CORPORATION (US) 2013-11-07 US disclosed
US-20130296363-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR USE AS JAK MODULATORS AMBIT BIOSCIENCES CORPORATION (US) 2013-11-07 US disclosed
WO-2012030944-A2 QUINOLINE AND ISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO disclosed
WO-2012030944-A2 QUINOLINE AND ISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 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 (1 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-20130296363-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR USE AS JAK MODULATORS JAK3, JAK2, JAK1 JAK2 2/4885JAK3 1/4885ITK 323/4885

“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.