SCHEMBL2197014

SCHEMBL2197014

Nc1ccc(OCc2ccccc2)nc1Nc1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.43
ERBB2 P04626 3/20 0.43
AURKB Q96GD4 2/20 0.43
CHEK2 O96017 1/20 0.43
ROS1 P08922 1/20 0.43
FLT3 P36888 1/20 0.43
ERBB4 Q15303 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
MAPT P10636 3/20 0.42
THRB P10828 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
TTBK1 Q5TCY1 1/20 0.41
TTBK2 Q6IQ55 1/20 0.41
AR P10275 1/20 0.41
NUDT1 P36639 1/20 0.40
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 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
SCHEMBL2194417 0.91 EGFR (0.45) EGFRERBB2AURKBCHEK2ROS1
SCHEMBL2193858 0.87 SMN1; SMN2 (0.44) EGFRERBB2AURKBCHEK2ROS1
SCHEMBL2195003 0.86 EGFR (0.43) EGFRERBB2AURKBCHEK2ROS1
SCHEMBL2192497 0.80 GSK3B (0.45) MAPTARRAB9ANPC1SMN1; SMN2
SCHEMBL2192506 0.79 EGFR (0.43) EGFRERBB2NUDT1RAB9ANPC1
SCHEMBL7822997 0.78 NUDT1 (0.56) MAPTNUDT1RAB9AHTTSMN1; SMN2
SCHEMBL2196709 0.77 NPC1 (0.41) MAPTNUDT1RAB9ANPC1HTT
SCHEMBL13730480 0.75 RPS27 (0.46) EGFRMAPTRAB9ANPC1HTT
SCHEMBL2191517 0.73 LTA4H (0.49) MAPTNUDT1RAB9ASMN1; SMN2GAA
SCHEMBL29424833 0.73 LTA4H (0.49) MAPTNUDT1RAB9ASMN1; SMN2GAA

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-8507473-B2 3H-imidazo[4,5-b]pyridin-5-ol derivatives useful in the treatment of GPR81 receptor disorders ARENA PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-20110172209-A1 3H-IMIDAZO[4,5-B]PYRIDIN-5-OL DERIVATIVES USEFUL IN THE TREATMENT OF GPR81 RECEPTOR DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2011-07-14 US disclosed
WO-2010030360-A1 3H-IMIDAZO[4,5-b]PYRIDIN-5-OL DERIVATIVES USEFUL IN THE TREATMENT OF GPR81 RECEPTOR DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2010-03-18 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-20110172209-A1 3H-IMIDAZO[4,5-B]PYRIDIN-5-OL DERIVATIVES USEFUL IN THE TREATMENT OF GPR81 RECEPTOR DISORDERS GPR84, GPR119, GPR65 EGFR 527/4885ERBB2 493/4885AURKB 3774/4885

“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.