SCHEMBL3788917

SCHEMBL3788917

CN1CCN(c2nc3cc(-c4ccncc4F)c(-c4cccnc4)nc3[nH]2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MELK Q14680 1/20 0.41
RPS6KA3 P51812 2/20 0.41
CYP3A4 P08684 5/20 0.40
CYP1A2 P05177 4/20 0.40
CYP2D6 P10635 4/20 0.40
ALDH1A1 P00352 3/20 0.40
CLK4 Q9HAZ1 3/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 2/20 0.39
ALOX15 P16050 2/20 0.39
RPS6KA2 Q15349 1/20 0.38
RPS6KA1 Q15418 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
PIM1 P11309 1/20 0.38
ALK Q9UM73 1/20 0.38
DYRK1A Q13627 3/20 0.38
GSK3B P49841 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) CYP3A4ALDH1A1TSHRHSD17B10LMNA
SCHEMBL3786440 0.89 ATR (0.41) RPS6KA3CYP3A4ALDH1A1RPS6KA2RPS6KA1
SCHEMBL3789467 0.80 CYP3A4 (0.43) CYP3A4KMT2APIM1ADORA2BCYP2C19
SCHEMBL3786726 0.80 ADORA2A (0.42) CYP3A4CYP1A2CYP2D6ALDH1A1TSHR
SCHEMBL3786530 0.79 CYP11B1 (0.49) CYP3A4ALDH1A1HSD17B10KMT2AADORA2B
SCHEMBL3788904 0.79 ADORA2B (0.45) RPS6KA3CYP3A4ADORA2BCYP2C19
SCHEMBL3796334 0.78 NUDT1 (0.45) CYP3A4ALDH1A1ADORA2BCYP2C19
SCHEMBL3795336 0.78 EGFR (0.40) CYP3A4ALDH1A1KMT2AADORA2BCYP2C19
SCHEMBL3794517 0.77 NPY5R (0.47) CYP3A4CYP1A2CYP2D6ALDH1A1HSD17B10
SCHEMBL3791710 0.77 CYP11B1 (0.44) CYP3A4CYP1A2CYP2D6ALDH1A1HSD17B10

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 9 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
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 MELK 2200/4885RPS6KA3 1654/4885CYP3A4 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.