SCHEMBL3087718

SCHEMBL3087718

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
TBK1 Q9UHD2 2/20 0.42
IKBKE Q14164 1/20 0.42
CHEK2 O96017 2/20 0.41
MEN1 O00255 2/20 0.41
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
MAPK13 O15264 1/20 0.39
ALOX5 P09917 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
SCHEMBL3083372 0.86 RHEB (0.54) KDM4EALDH1A1HPGDKMT2AGAA
SCHEMBL3091719 0.85 TBK1 (0.53) PARP1KDM4EALDH1A1HPGDKMT2A
SCHEMBL3090291 0.85 TGFBR1 (0.44) PARP1KDM4EALDH1A1HPGDKMT2A
SCHEMBL3078427 0.80 LRRK2 (0.48) HPGD
SCHEMBL4909647 0.80 KDM4E (0.47) PARP1KDM4EALDH1A1HPGDKMT2A
SCHEMBL4748880 0.80 RIPK1 (0.48) PARP1HPGDKMT2AAXL
SCHEMBL4934480 0.79 KDM4E (0.48) PARP1KDM4EALDH1A1HPGDKMT2A
SCHEMBL3084527 0.73 RHEB (0.56) KDM4EALDH1A1HPGDKMT2AMMP2
SCHEMBL4940706 0.73 KDM4E (0.48) PARP1KDM4EALDH1A1HPGDKMT2A
SCHEMBL15172625 0.73 ALK (0.60)

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 12 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
EP-2142542-A1 NEW IMIDAZO [4,5-B] PYRIDINE-7-CARBOXAMIDES 704 AstraZeneca AB (SE) 2010-01-13 EP claimed
WO-2008121063-A1 NEW IMIDAZO[ 4,5-B]PYRIDINE-7-CARBOXAMIDES 704 ASTRAZENECA AB (SE) 2008-10-09 WO 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
EP-2142542-A1 NEW IMIDAZO [4,5-B] PYRIDINE-7-CARBOXAMIDES 704 AstraZeneca AB (SE) 2010-01-13 EP disclosed
WO-2008121063-A1 NEW IMIDAZO[ 4,5-B]PYRIDINE-7-CARBOXAMIDES 704 ASTRAZENECA AB (SE) 2008-10-09 WO 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 PARP1 1771/4885KDM4E 172/4885ALDH1A1 988/4885

“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.