SCHEMBL174860

SCHEMBL174860

Cc1cc(Nc2nc(C(F)(F)c3ccc(F)cn3)nc3c2cnn3C)n[nH]1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 11/20 0.56
NTRK1 P04629 4/20 0.45
PAK4 O96013 4/20 0.43
JAK3 P52333 5/20 0.43
JAK2 O60674 5/20 0.43
HTR2C P28335 2/20 0.43
CDK2 P24941 2/20 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
STAT5B P51692 1/20 0.40
AURKB Q96GD4 1/20 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
SCHEMBL173716 0.87 PLK4 (0.58) PLK4NTRK1PAK4HTR2CAURKB
SCHEMBL163559 0.82 AURKA (0.56) NTRK1JAK3JAK2AURKB
SCHEMBL165657 0.82 JAK2 (0.56) NTRK1JAK3JAK2AURKB
SCHEMBL160401 0.81 NTRK1 (0.53) PLK4NTRK1PAK4JAK3JAK2
SCHEMBL173588 0.80 AURKA (0.44) PLK4NTRK1PAK4JAK3JAK2
SCHEMBL173868 0.80 NTRK1 (0.46) PLK4NTRK1PAK4JAK3JAK2
SCHEMBL162144 0.79 NTRK1 (0.54) PLK4NTRK1PAK4JAK3JAK2
SCHEMBL10284854 0.79 AURKA (0.48) PLK4NTRK1PAK4JAK3JAK2
SCHEMBL163318 0.79 NTRK1 (0.54) PLK4NTRK1PAK4JAK3JAK2
SCHEMBL174181 0.79 AURKA (0.44) PLK4NTRK1PAK4JAK3JAK2

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 7 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
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 PLK4 246/4885NTRK1 1619/4885PAK4 784/4885

“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.