SCHEMBL13019668

SCHEMBL13019668

Nc1nc(-c2cccnc2)c(-c2ccncc2F)cc1NC(=O)c1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.55
DYRK1A Q13627 1/20 0.55
SCN5A Q14524 8/20 0.49
SCN9A Q15858 8/20 0.49
NTRK1 P04629 3/20 0.44
ABL1 P00519 2/20 0.43
PIKFYVE Q9Y2I7 1/20 0.42
ABCB1 P08183 2/20 0.42
CFTR P13569 1/20 0.42
ATR Q13535 1/20 0.41

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
SCHEMBL3794201 0.87 PIKFYVE (0.45) ABL1PIKFYVEABCB1ATR
SCHEMBL3793080 0.85 ABCB1 (0.47) SCN5ASCN9AABCB1ATR
SCHEMBL3796945 0.85 ABCB1 (0.49) SCN5ASCN9AABCB1ATR
SCHEMBL3788574 0.83 ABCB1 (0.61) ABCB1ATR
SCHEMBL3789463 0.81 HDAC3 (0.50) ABCB1ATR
SCHEMBL3796978 0.80 ATR (0.44) ABCB1ATR
SCHEMBL3791797 0.78 ADORA2B (0.64) DYRK1AABL1
SCHEMBL3788891 0.78 ATR (0.44) DYRK1AABCB1ATR
SCHEMBL3792560 0.78 ATR (0.44) ABCB1ATR
SCHEMBL3794572 0.73 TRPV1 (0.39) CFTR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855202-B2 Imidazopyridine derivatives as A2B adenosine receptor antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2010-12-21 US disclosed
US-7855202-B2 Imidazopyridine derivatives as A2B adenosine receptor antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2010-12-21 US disclosed
US-20080275038-A1 Imidazopyridine Derivatives as A2b Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2008-11-06 US disclosed
US-20080275038-A1 Imidazopyridine Derivatives as A2b Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2008-11-06 US disclosed
WO-2007039297-A1 IMIDAZOPYRIDINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2007-04-12 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-20080275038-A1 Imidazopyridine Derivatives as A2b Adenosine Receptor Antagonists ADORA2B, ADORA2A, ADORA1 CLK1 2037/4885DYRK1A 2152/4885SCN5A 971/4885

“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.