SCHEMBL174842

SCHEMBL174842

Oc1nc(C(F)(F)c2ccc(F)cc2)nc2c1cnn2Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CNR2 P34972 1/20 0.42
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 1/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39

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
SCHEMBL173482 0.88 ALDH1A1 (0.46) GAAMEN1KMT2AALDH1A1HPGD
SCHEMBL173618 0.85 SIGMAR1 (0.31) CNR2ADORA2AADORA1ABL1SRC
SCHEMBL174746 0.77 HTR2C (0.44) GAA
SCHEMBL174820 0.76 PLK4 (0.54) GAAMEN1KMT2A
SCHEMBL164012 0.76 ADORA3 (0.43) ALDH1A1ADORA2AADORA1
SCHEMBL2786622 0.75 ALDH1A1 (0.50) GAAALDH1A1HPGDMAPTKDM4E
SCHEMBL164199 0.73 CCNE2 (0.41) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL30590806 0.68 ADORA2A (0.57) GAAMEN1KMT2AALDH1A1HPGD
SCHEMBL31194520 0.67 LMNA (0.59) GAAALDH1A1HPGDKDM4ELMNA
SCHEMBL1695446 0.67 ALDH1A1 (0.50) ALDH1A1HPGDMAPTKDM4EL3MBTL1

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 GAA 2959/4885MEN1 2341/4885KMT2A 610/4885

“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.