SCHEMBL3090291

SCHEMBL3090291

O=C(O)c1ccc(-c2nc3c(I)c(F)cnc3[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.44
MAPK13 O15264 1/20 0.44
ALOX5 P09917 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
PARP1 P09874 1/20 0.43
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 4/20 0.42
KMT2A Q03164 4/20 0.42
GLA P06280 3/20 0.42
GAA P10253 3/20 0.42
NR4A2 P43354 1/20 0.42
TBK1 Q9UHD2 2/20 0.42
IKBKE Q14164 1/20 0.42
DHODH Q02127 2/20 0.41
MEN1 O00255 2/20 0.41
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40

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
SCHEMBL3103098 0.86 MAPK14 (0.49) MAPK13ALOX5MAPK12MAPK11MAPK14
SCHEMBL3087718 0.85 PARP1 (0.43) TGFBR1MAPK13ALOX5MAPK12MAPK11
SCHEMBL3091719 0.85 TBK1 (0.53) TGFBR1MAPK13ALOX5MAPK12MAPK11
SCHEMBL4934480 0.79 KDM4E (0.48) TGFBR1MAPK13ALOX5MAPK12MAPK11
SCHEMBL4940706 0.73 KDM4E (0.48) TGFBR1MAPK13ALOX5MAPK12MAPK11
SCHEMBL4909647 0.72 KDM4E (0.47) TGFBR1MAPK13ALOX5MAPK12MAPK11
SCHEMBL3088896 0.72 ALDH1A1 (0.51) MAPK13ALOX5MAPK12MAPK11MAPK14
SCHEMBL3083372 0.72 RHEB (0.54) MAPK13ALOX5MAPK12MAPK11MAPK14
SCHEMBL3096393 0.72 RHEB (0.51) MAPK13ALOX5MAPK12MAPK11MAPK14
SCHEMBL3089198 0.70 ALOX5 (0.52) ALOX5PARP1

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-20100234593-A1 Imidazo[4,5-B]Pyridine-7-Carboxamides 704 ASTRAZENECA AB (SE) 2010-09-16 US claimed
CN-101679421-A Novel imidazo [4, 5-b ] pyridine-7-carboxamides 704 ASTRAZENECA AB 2010-03-24 CN claimed
US-20100234593-A1 Imidazo[4,5-B]Pyridine-7-Carboxamides 704 ASTRAZENECA AB (SE) 2010-09-16 US disclosed
US-20100234593-A1 Imidazo[4,5-B]Pyridine-7-Carboxamides 704 ASTRAZENECA AB (SE) 2010-09-16 US disclosed
US-20100234593-A1 Imidazo[4,5-B]Pyridine-7-Carboxamides 704 ASTRAZENECA AB (SE) 2010-09-16 US disclosed
CN-101679421-A Novel imidazo [4, 5-b ] pyridine-7-carboxamides 704 ASTRAZENECA AB 2010-03-24 CN disclosed
WO-2008121063-A1 NEW IMIDAZO[ 4,5-B]PYRIDINE-7-CARBOXAMIDES 704 ASTRAZENECA AB (SE) 2008-10-09 WO disclosed
WO-2008121064-A1 NEW IMIDAZO[4,5-B]PYRIDINE-6-HALO-7-ARYL/HETEROARYL COMPOUNDS 705 ASTRAZENECA AB (SE) 2008-10-09 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-20100234593-A1 Imidazo[4,5-B]Pyridine-7-Carboxamides 704 HDAC4, HDAC7, BRD4 TGFBR1 4725/4885MAPK13 801/4885ALOX5 2945/4885

“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.