SCHEMBL3786440

SCHEMBL3786440

Fc1cnccc1-c1cc2nc(N3CCOCC3)[nH]c2nc1-c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 2/20 0.41
ATRIP Q8WXE1 2/20 0.41
RPS6KA3 P51812 2/20 0.41
LRRK2 Q5S007 1/20 0.40
PIK3CA P42336 5/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.39
RPS6KA2 Q15349 1/20 0.39
RPS6KA1 Q15418 1/20 0.39
ITK Q08881 1/20 0.38
DYRK1A Q13627 3/20 0.38
CLK1 P49759 1/20 0.38
GBA1 P04062 1/20 0.38
GSK3B P49841 1/20 0.38
PIK3CB P42338 2/20 0.38
PIK3CG P48736 2/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA2B P29275 1/20 0.38

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
SCHEMBL3789872 0.90 LATS1 (0.45) ALDH1A1SMN1; SMN2TP53CYP3A4ADORA2B
SCHEMBL3788917 0.89 MELK (0.41) RPS6KA3ALDH1A1RPS6KA2RPS6KA1DYRK1A
SCHEMBL3063772 0.83 CYP3A4 (0.42) ATRATRIPRPS6KA3LRRK2PIK3CA
SCHEMBL3786530 0.79 CYP11B1 (0.49) ALDH1A1HTTSMN1; SMN2CYP3A4ADORA2B
SCHEMBL3796334 0.78 NUDT1 (0.45) ATRALDH1A1HTTSMN1; SMN2CYP3A4
SCHEMBL3789467 0.78 CYP3A4 (0.43) CYP3A4ADORA2BCYP2C19CDC7PIM1
SCHEMBL3786726 0.78 ADORA2A (0.42) ALDH1A1HTTSMN1; SMN2TP53CYP3A4
SCHEMBL3791710 0.77 CYP11B1 (0.44) ALDH1A1HTTSMN1; SMN2CYP3A4ADORA2B
SCHEMBL3794517 0.77 NPY5R (0.47) ALDH1A1HTTSMN1; SMN2CYP3A4ADORA2B
SCHEMBL3788904 0.77 ADORA2B (0.45) RPS6KA3CYP3A4ADORA2BCYP2C19CDC7

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 8 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 claimed
US-20080275038-A1 Imidazopyridine Derivatives as A2b Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2008-11-06 US claimed
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-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
US-20080275038-A1 Imidazopyridine Derivatives as A2b Adenosine Receptor Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2008-11-06 US 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 ATR 4169/4885ATRIP 1252/4885RPS6KA3 1654/4885

“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.