SCHEMBL174845

SCHEMBL174845

CCn1ncc2c(Cl)nc(S(=O)(=O)c3ccc(F)cc3)nc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.37
TRAP1 Q12931 2/20 0.37
HSP90AB1 P08238 1/20 0.37
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
PDE4B Q07343 2/20 0.35
MAPT P10636 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CASP1 P29466 1/20 0.34
CYP2C19 P33261 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GGPS1 O95749 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL164444 0.80 LRRK2 (0.38) HSP90AA1MAPTKDM4EALDH1A1CYP1A2
SCHEMBL2186660 0.79 ABL1 (0.42) HSP90AA1TRAP1HSP90AB1ADORA2AADORA1
SCHEMBL164315 0.75 HTR6 (0.37) MAPTKDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL174249 0.73 ABL1 (0.40) HSP90AA1TRAP1HSP90AB1ADORA2AADORA1
SCHEMBL162439 0.72 MAPT (0.36) ADORA2AADORA1MAPTKDM4EALDH1A1
SCHEMBL163907 0.71 HDAC1 (0.35) HSP90AA1MAPTKDM4EALDH1A1CYP1A2
SCHEMBL165396 0.71 HDAC1 (0.36) HSP90AA1MAPTKDM4EALDH1A1CYP1A2
SCHEMBL2189832 0.70 ADORA3 (0.43) HSP90AA1TRAP1HSP90AB1ADORA2AADORA1
SCHEMBL165127 0.69 GRIN2B (0.41)
SCHEMBL20250861 0.69 ALDH1A1 (0.42) HSP90AA1TRAP1HSP90AB1ADORA2AADORA1

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 HSP90AA1 3467/4885TRAP1 2210/4885HSP90AB1 3636/4885

“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.