SCHEMBL164925

SCHEMBL164925

CS(=O)(=O)CCn1ccc2c(Cl)nc(Sc3ccc(F)cc3)nc21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC P12931 7/20 0.37
FLT3 P36888 5/20 0.36
FYN P06241 5/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC2 Q92769 1/20 0.36
HSP90AA1 P07900 2/20 0.35
ABL1 P00519 1/20 0.35
FAAH O00519 1/20 0.35
KCNH2 Q12809 1/20 0.35
HDAC6 Q9UBN7 6/20 0.34
HDAC4 P56524 3/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL165952 0.83 SRC (0.37) SRCFLT3FYNHDAC1HDAC2
SCHEMBL163472 0.83 SRC (0.41) SRCFLT3FYNHDAC1HDAC2
SCHEMBL164363 0.82 SRC (0.38) SRCFLT3FYNHDAC1HDAC2
SCHEMBL163907 0.79 HDAC1 (0.35) SRCFLT3FYNHDAC1HDAC2
SCHEMBL163755 0.79 MEN1 (0.38) SRCFLT3FYNHSP90AA1ABL1
SCHEMBL164362 0.77 GRIN2B (0.41) SRCFLT3FYNHDAC1HDAC2
SCHEMBL165583 0.73 MEN1 (0.36) SRCFLT3FYNABL1MEN1
SCHEMBL174249 0.68 ABL1 (0.40) SRCHSP90AA1ABL1MEN1MAPT
SCHEMBL22233039 0.67 HRH4 (0.33) HSP90AA1
SCHEMBL30612214 0.65 HDAC6 (0.31) HDAC1HSP90AA1HDAC6HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-11-14 US disclosed
EP-2611809-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
WO-2012030924-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE 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-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK3, JAK2, JAK1 SRC 98/4885FLT3 16/4885FYN 270/4885

“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.