SCHEMBL174513

SCHEMBL174513

[O-][S+](c1ccc(F)cc1)c1nc(Nc2cc[nH]n2)c2cc[nH]c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
TTBK1 Q5TCY1 4/20 0.36
TTBK2 Q6IQ55 4/20 0.36
TGFBR1 P36897 9/20 0.34
TGFBR2 P37173 7/20 0.34
TRPA1 O75762 1/20 0.32
AURKA O14965 1/20 0.31
JAK2 O60674 1/20 0.31
ABL1 P00519 1/20 0.31
NTRK1 P04629 1/20 0.31
RET P07949 1/20 0.31
FGR P09769 1/20 0.31
FGFR1 P11362 1/20 0.31
CSNK2A2 P19784 1/20 0.31
FLT4 P35916 1/20 0.31
KDR P35968 1/20 0.31
FLT3 P36888 1/20 0.31
JAK3 P52333 1/20 0.31
LIMK1 P53667 1/20 0.31

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
SCHEMBL15377554 1.00 MKNK1 (0.38) MKNK1MKNK2TTBK1TTBK2TGFBR1
SCHEMBL15377751 0.82 AURKA (0.45) AURKAJAK2NTRK1JAK3LIMK1
SCHEMBL255946 0.82 AURKA (0.45) AURKAJAK2NTRK1JAK3LIMK1
SCHEMBL15377039 0.79 KCNN3 (0.39) JAK2JAK3
SCHEMBL255544 0.79 KCNN3 (0.39) JAK2JAK3
SCHEMBL174614 0.74 MKNK1 (0.38) MKNK1MKNK2TTBK1TTBK2TGFBR1
SCHEMBL13844997 0.64 MAPK10 (0.46) MKNK2TTBK1TTBK2FLT3
SCHEMBL24996293 0.63 TRPA1 (0.50) MKNK1MKNK2TTBK1TTBK2TRPA1
SCHEMBL254830 0.60 AKR1B1 (0.38) AURKANTRK1KDRLIMK1
SCHEMBL1272593 0.59

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 9 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 claimed
EP-2611809-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP claimed
WO-2012030924-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO claimed
US-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-11-14 US disclosed
US-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-11-14 US disclosed
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
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 MKNK1 190/4885MKNK2 134/4885TTBK1 319/4885

“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.