SCHEMBL166059

SCHEMBL166059

O=S(=O)(c1ccc(F)cc1)c1nc(Cl)c2ccn(CCN3CCOCC3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
HRH3 Q9Y5N1 4/20 0.43
PIK3CA P42336 3/20 0.39
MTOR P42345 2/20 0.39
SRC P12931 1/20 0.39
FLT3 P36888 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 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
SCHEMBL165396 0.83 HDAC1 (0.36) HRH3SRCFLT3HDAC2KDM4E
SCHEMBL163907 0.81 HDAC1 (0.35) SRCFLT3HDAC2KDM4EALDH1A1
SCHEMBL164444 0.80 LRRK2 (0.38) SRCFLT3HDAC2KDM4EALDH1A1
SCHEMBL164462 0.78 AURKA (0.41) MAPK1
SCHEMBL164315 0.77 HTR6 (0.37) KDM4EALDH1A1MAPTHPGDCASP1
SCHEMBL165127 0.74 GRIN2B (0.41) HDAC2
SCHEMBL162439 0.71 MAPT (0.36) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL174845 0.66 HSP90AA1 (0.37) SRCFLT3KDM4EALDH1A1MAPT
SCHEMBL11535141 0.66 MEN1 (0.72) MAPK1PIK3CAMTORMAPTPKM
SCHEMBL2852875 0.65 ADORA2A (0.47) HRH3HDAC2

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 MAPK1 446/4885HRH3 1006/4885PIK3CA 228/4885

“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.