SCHEMBL164635

SCHEMBL164635

Cc1cc(Nc2nc(C(F)(F)c3ccc(F)cc3)nc3nc(C#N)sc23)n[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.44
JAK3 P52333 7/20 0.44
LIMK1 P53667 1/20 0.44
LIMK2 P53671 1/20 0.44
PLK4 O00444 2/20 0.42
PAK4 O96013 1/20 0.42
NTRK1 P04629 7/20 0.40
CDK2 P24941 3/20 0.40
MUSK O15146 1/20 0.40
LCK P06239 1/20 0.40
RET P07949 1/20 0.40
FGFR3 P22607 1/20 0.40
CCNE1 P24864 1/20 0.40
FLT3 P36888 1/20 0.40
PTK2B Q14289 1/20 0.40
DHODH Q02127 1/20 0.40
AURKB Q96GD4 3/20 0.40
STAT5B P51692 1/20 0.40
AURKA O14965 1/20 0.39
NTRK3 Q16288 1/20 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
SCHEMBL174270 0.87 PLK4 (0.43) JAK2JAK3LIMK1LIMK2PLK4
SCHEMBL175167 0.85 PLK4 (0.42) JAK2JAK3LIMK1LIMK2PLK4
SCHEMBL175117 0.85 PLK4 (0.42) JAK2JAK3LIMK1LIMK2PLK4
SCHEMBL174655 0.83 PLK4 (0.41) JAK2JAK3LIMK1LIMK2PLK4
SCHEMBL173409 0.82 PLK4 (0.40) JAK2JAK3PLK4PAK4NTRK1
SCHEMBL175961 0.82 PLK4 (0.40) JAK2JAK3LIMK1LIMK2PLK4
SCHEMBL173555 0.82 PLK4 (0.44) JAK2JAK3LIMK1LIMK2PLK4
SCHEMBL174064 0.81 AURKA (0.47) JAK2JAK3PLK4PAK4NTRK1
SCHEMBL174193 0.80 NTRK1 (0.43) JAK2JAK3PLK4PAK4NTRK1
SCHEMBL166273 0.79 PAK1 (0.51) JAK2JAK3LIMK1LIMK2PLK4

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 JAK2 2/4885JAK3 1/4885LIMK1 1245/4885

“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.