SCHEMBL2194289

SCHEMBL2194289

O=[N+]([O-])c1ccc(O)nc1Nc1ccccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MYC P01106 1/20 0.44
MAX P61244 1/20 0.44
PTK2 Q05397 1/20 0.43
EPHX2 P34913 1/20 0.41
AKR1B1 P15121 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
RORC P51449 1/20 0.40
FGFR4 P22455 1/20 0.40
AURKA O14965 2/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
GAA P10253 4/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL2464709 0.85 ALDH1A1 (0.44) ALDH1A1MYCMAXPTK2EPHX2
SCHEMBL2191373 0.84 FGFR4 (0.40) ALDH1A1FGFR4MEN1KMT2AGAA
SCHEMBL2197093 0.83 MEN1 (0.46) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL2195443 0.81 PRKCQ (0.39) ALDH1A1PTK2AKR1B1AKR1C4AKR1C3
SCHEMBL2194871 0.81 L3MBTL1 (0.46) ALDH1A1EPHX2AKR1B1AKR1C4AKR1C3
SCHEMBL2192755 0.80 KMT2A (0.51) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL2196630 0.80 MAPK1 (0.55) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL2191393 0.80 CXCR2 (0.44) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL2194211 0.78 MEN1 (0.37) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL2191805 0.78 KMT2A (0.46) ALDH1A1MEN1KMT2AGAAMAPT

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 ALDH1A1 725/4885MYC 3539/4885MAX 4158/4885

“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.