SCHEMBL164444

SCHEMBL164444

CCn1ccc2c(Cl)nc(S(=O)(=O)c3ccc(F)cc3)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.38
MAPT P10636 4/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CASP1 P29466 2/20 0.37
CYP2C19 P33261 2/20 0.37
CASP7 P55210 2/20 0.37
CYP3A4 P08684 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTR6 P50406 3/20 0.35
SRC P12931 3/20 0.35
FYN P06241 2/20 0.35
FLT3 P36888 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 1/20 0.35
HSP90AA1 P07900 1/20 0.34
TP53 P04637 2/20 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
SCHEMBL163907 0.86 HDAC1 (0.35) MAPTKDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL165396 0.86 HDAC1 (0.36) MAPTKDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL165652 0.85 HTR6 (0.35) MAPTKDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL164315 0.84 HTR6 (0.37) MAPTKDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL165127 0.83 GRIN2B (0.41) HTR6HDAC1HDAC2HDAC6HDAC4
SCHEMBL162439 0.81 MAPT (0.36) MAPTKDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL166059 0.80 MAPK1 (0.44) MAPTKDM4EALDH1A1CASP1CASP7
SCHEMBL174845 0.80 HSP90AA1 (0.37) LRRK2MAPTKDM4EALDH1A1CYP1A2
SCHEMBL174555 0.75 NTRK1 (0.44)
SCHEMBL173433 0.73 GRK6 (0.34) MAPTKDM4EALDH1A1CYP1A2CYP2D6

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 LRRK2 1844/4885MAPT 2450/4885KDM4E 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.