SCHEMBL3095772

SCHEMBL3095772

COC(=O)c1ccc(-c2nc3c(Cl)c(Br)cnc3[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.51
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
ALDH1A1 P00352 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TNKS O95271 1/20 0.46
IDO1 P14902 1/20 0.44
IKBKE Q14164 1/20 0.42
TBK1 Q9UHD2 1/20 0.42

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
SCHEMBL3084527 0.88 RHEB (0.56) RHEBMMP2MMP9MMP8MMP13
SCHEMBL3096393 0.86 RHEB (0.51) RHEBMMP2MMP9MMP8MMP13
SCHEMBL3088896 0.86 ALDH1A1 (0.51) RHEBMMP2MMP9MMP8MMP13
SCHEMBL3083372 0.81 RHEB (0.54) RHEBMMP2MMP9MMP8MMP13
SCHEMBL4909019 0.79 RHEB (0.57) RHEBMMP2MMP9MMP8MMP13
SCHEMBL3103098 0.76 MAPK14 (0.49) RHEBMMP2MMP9MMP8MMP13
SCHEMBL28532915 0.76 MMP2 (0.55) RHEBMMP2MMP9MMP8MMP13
SCHEMBL3088868 0.76 MMP2 (0.65) RHEBMMP2MMP9MMP8MMP13
SCHEMBL3097032 0.76 RHEB (0.66) RHEBMMP2MMP9MMP8MMP13
SCHEMBL4937886 0.75 KDM4E (0.55) RHEBMMP2MMP9MMP8MMP13

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-2008121064-A1 NEW IMIDAZO[4,5-B]PYRIDINE-6-HALO-7-ARYL/HETEROARYL COMPOUNDS 705 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

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 RHEB 3237/4885MMP2 1959/4885MMP9 3933/4885

“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.