SCHEMBL166205

SCHEMBL166205

Oc1nc(Sc2ccc(F)cc2)nc2[nH]ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.38
TTBK1 Q5TCY1 3/20 0.35
TTBK2 Q6IQ55 3/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK1 P28482 1/20 0.33
DYRK1A Q13627 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
MAPK14 Q16539 1/20 0.33
CHRNA7 P36544 1/20 0.33
TYMS P04818 2/20 0.33
JAK1 P23458 1/20 0.32
TGFBR1 P36897 1/20 0.32
TGFBR2 P37173 1/20 0.32
AKT2 P31751 2/20 0.32
ROCK2 O75116 1/20 0.32
AKT1 P31749 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL162870 0.82 TRPA1 (0.40) TRPA1TTBK1TTBK2MEN1MAPT
SCHEMBL18484200 0.76 NUDT1 (0.43) TTBK1TTBK2MAPK1DYRK1ATYMS
SCHEMBL161735 0.74 ADORA2A (0.39) TTBK1TTBK2MEN1MAPTKMT2A
SCHEMBL175002 0.74 GSK3B (0.48) TTBK1TTBK2MKNK1MKNK2CHRNA7
SCHEMBL173973 0.72 AURKA (0.59)
SCHEMBL31669638 0.71 MEN1 (0.50) MEN1MAPTKMT2AMAPK1CHRNA7
SCHEMBL6661474 0.70 TRPA1 (0.52) TRPA1TTBK1TTBK2DYRK1AMKNK1
SCHEMBL371415 0.69 HRH4 (0.49) TTBK1TTBK2DYRK1AJAK1
7-Deazaxanthine SCHEMBL1014230 0.68 DYRK1A (0.40) TTBK1TTBK2MAPK1DYRK1A
SCHEMBL3126517 0.65 ADORA2A (0.42) TTBK1TTBK2MAPK1DYRK1A

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 TRPA1 4480/4885TTBK1 319/4885TTBK2 253/4885

“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.