SCHEMBL173482

SCHEMBL173482

Fc1ccc(C(F)(F)c2nc(Cl)c3cnn(Cc4ccccc4)c3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
ATM Q13315 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CNR2 P34972 1/20 0.42
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HSP90AA1 P07900 2/20 0.40
TRAP1 Q12931 2/20 0.40
HTT P42858 2/20 0.40

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
SCHEMBL174842 0.88 GAA (0.43) ALDH1A1HPGDMAPTL3MBTL1KDM4E
SCHEMBL174820 0.77 PLK4 (0.54) GAAMEN1KMT2A
SCHEMBL165459 0.75 ADORA2A (0.48) ADORA2AADORA1
SCHEMBL2786472 0.75 ALDH1A1 (0.54) ALDH1A1HPGDMAPTL3MBTL1KDM4E
SCHEMBL31194508 0.75 ALDH1A1 (0.54) ALDH1A1HPGDMAPTL3MBTL1KDM4E
SCHEMBL164157 0.73 CCNE2 (0.41) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL20118691 0.72 HSP90AA1 (0.62) ALDH1A1HPGDMAPTL3MBTL1KDM4E
SCHEMBL173618 0.72 SIGMAR1 (0.31) CNR2ADORA2AADORA1ABL1SRC
SCHEMBL31194520 0.70 LMNA (0.59) ALDH1A1HPGDKDM4EGAALMNA
SCHEMBL20118612 0.70 ADORA2A (0.64) HSP90AA1TRAP1ADORA2AADORA1HSP90AB1

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 ALDH1A1 3689/4885HPGD 2202/4885MAPT 2450/4885

“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.