SCHEMBL174069

SCHEMBL174069

Cc1cc(Nc2nc(C(F)(F)c3ccc(F)cc3)nc3nn(Cc4ccccc4)cc23)n[nH]1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.49
NTRK1 P04629 7/20 0.49
AURKB Q96GD4 4/20 0.49
PLK4 O00444 2/20 0.46
PAK4 O96013 2/20 0.46
JAK2 O60674 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C8 P10632 3/20 0.42
CYP2C9 P11712 3/20 0.42
JAK1 P23458 3/20 0.42
TYK2 P29597 3/20 0.42
CYP2C19 P33261 3/20 0.42
JAK3 P52333 3/20 0.42
ADORA3 P0DMS8 2/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL174494 0.84 PLK4 (0.46) AURKANTRK1AURKBPLK4PAK4
SCHEMBL174820 0.81 PLK4 (0.54) AURKANTRK1AURKBPLK4PAK4
SCHEMBL168759 0.79 NTRK1 (0.66) AURKANTRK1AURKBJAK2CYP3A4
SCHEMBL165459 0.77 ADORA2A (0.48) ADORA3
SCHEMBL164012 0.76 ADORA3 (0.43) ADORA3
SCHEMBL174442 0.76 PLK4 (0.66) PLK4PAK4
SCHEMBL175070 0.74 AURKA (0.63) AURKANTRK1AURKBPLK4PAK4
SCHEMBL174053 0.74 NTRK1 (0.50) AURKANTRK1AURKBPLK4PAK4
SCHEMBL12105337 0.73 DHODH (0.43) AURKANTRK1AURKBPLK4PAK4
SCHEMBL173978 0.73 NTRK1 (0.54) AURKANTRK1AURKBPLK4PAK4

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 AURKA 174/4885NTRK1 1619/4885AURKB 172/4885

“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.