SCHEMBL3789872

SCHEMBL3789872

Fc1cnccc1-c1cc2nc(N3CCCCC3)[nH]c2nc1-c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 1/20 0.45
ADORA2B P29275 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
ROCK2 O75116 3/20 0.39
ROCK1 Q13464 3/20 0.39
CDC42BPB Q9Y5S2 3/20 0.39
CDC42BPA Q5VT25 1/20 0.39
WNT1 P04628 1/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
PIM1 P11309 1/20 0.36

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
SCHEMBL3786440 0.90 ATR (0.41) ADORA2BCYP3A4CYP2C19ALDH1A1PIM1
SCHEMBL3788917 0.90 MELK (0.41) ADORA2BCYP3A4CYP2C19HSD17B10TSHR
SCHEMBL3786530 0.81 CYP11B1 (0.49) ADORA2BCYP3A4CYP2C19HSD17B10ALDH1A1
SCHEMBL3791203 0.80 ADORA2B (0.39) ADORA2BCYP3A4CYP2C19ALDH1A1MAPT
SCHEMBL3794512 0.80 ADORA2B (0.43) ADORA2BCYP3A4CYP2C19ALDH1A1PIM1
SCHEMBL3789467 0.80 CYP3A4 (0.43) ADORA2BCYP3A4CYP2C19PIM1NPY5R
SCHEMBL3796334 0.80 NUDT1 (0.45) ADORA2BCYP3A4CYP2C19ALDH1A1MAPT
SCHEMBL3786726 0.80 ADORA2A (0.42) ADORA2BCYP3A4CYP2C19HSD17B10TSHR
SCHEMBL3791710 0.79 CYP11B1 (0.44) ADORA2BCYP3A4CYP2C19HSD17B10ALDH1A1
SCHEMBL3794517 0.79 NPY5R (0.47) ADORA2BCYP3A4CYP2C19HSD17B10ALDH1A1

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 11 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
EP-1931666-A1 IMIDAZOPYRIDINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS Laboratorios Almirall, S.A. (ES) 2008-06-18 EP disclosed
WO-2007039297-A1 IMIDAZOPYRIDINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2007-04-12 WO 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 LATS1 4732/4885ADORA2B 1/4885CYP3A4 1582/4885

“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.