SCHEMBL164638

SCHEMBL164638

O=S(=O)(c1ccc(F)cc1)c1nc(Cl)c2cc[nH]c2n1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.37
CHUK O15111 1/20 0.37
KDM4E B2RXH2 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ESR1 P03372 1/20 0.36
AKR1B1 P15121 1/20 0.35
JAK2 O60674 4/20 0.35
TYK2 P29597 3/20 0.35
JAK1 P23458 3/20 0.35
JAK3 P52333 2/20 0.35
PLK2 Q9NYY3 1/20 0.34
PTGS2 P35354 1/20 0.34
FBP1 P09467 1/20 0.34
MAPT P10636 2/20 0.33
TRPA1 O75762 1/20 0.33
COMT P21964 1/20 0.33
TP53 P04637 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL174614 0.76 MKNK1 (0.38) IKBKBCHUKESR1AKR1B1JAK2
SCHEMBL174436 0.73 AURKA (0.45) JAK2TYK2JAK1JAK3
SCHEMBL164315 0.70 HTR6 (0.37) KDM4ERXFP1PTGS2MAPTTP53
SCHEMBL2147990 0.70 PRKCI (0.41) TRPA1
SCHEMBL28003201 0.69 IKBKB (0.42) IKBKBCHUKKDM4EJAK2TYK2
SCHEMBL162870 0.69 TRPA1 (0.40) MAPTTRPA1
SCHEMBL164444 0.68 LRRK2 (0.38) KDM4EPTGS2MAPTTP53
SCHEMBL162439 0.68 MAPT (0.36) KDM4ERXFP1MAPTTP53NPSR1
SCHEMBL174845 0.67 HSP90AA1 (0.37) KDM4EPTGS2MAPTTP53NPSR1
SCHEMBL760829 0.67 CHUK (0.51) IKBKBCHUKJAK2

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 IKBKB 372/4885CHUK 295/4885KDM4E 996/4885

“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.