SCHEMBL1136397

SCHEMBL1136397

O=C(Nc1ccc(Cl)c(C(=O)Nc2cnc3[nH]c(-c4ccccc4)nc3c2)c1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR2E3 Q9Y5X4 7/20 0.61
MMP2 P08253 4/20 0.50
MMP9 P14780 4/20 0.50
MMP8 P22894 4/20 0.50
MMP13 P45452 4/20 0.50
COMT P21964 1/20 0.50
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
JAK2 O60674 1/20 0.47
CSF1R P07333 1/20 0.47
PDGFRB P09619 1/20 0.47
FGFR1 P11362 1/20 0.47
CYP2C9 P11712 1/20 0.47
BRAF P15056 1/20 0.47

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
SCHEMBL1136390 0.96 NR2E3 (0.59) NR2E3MMP2MMP9MMP8MMP13
SCHEMBL1136351 0.94 NR2E3 (0.55) NR2E3MMP2MMP9MMP8MMP13
SCHEMBL4487422 0.88 MMP2 (0.58) NR2E3MMP2MMP9MMP8MMP13
SCHEMBL1136378 0.88 MMP2 (0.53) NR2E3MMP2MMP9MMP8MMP13
SCHEMBL4472721 0.87 NR2E3 (0.59) NR2E3KDR
SCHEMBL1136446 0.87 KMT2A (0.50) NR2E3MAPTMEN1LMNAKMT2A
SCHEMBL1136458 0.87 CHEK2 (0.52) NR2E3MAPTKDM4ESMN1; SMN2KDR
SCHEMBL1136430 0.87 NR2E3 (0.47) NR2E3MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL1136391 0.86 NR2E3 (0.46) NR2E3MMP2MMP9MMP13MAPT
SCHEMBL1136392 0.86 NR2E3 (0.46) NR2E3MMP2MMP9MMP13MAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919910-B1 AZABENZIMIDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS ANTI-CANCER AGENTS HOFFMANN LA ROCHE (CH) 2011-02-23 EP claimed
CN-101208338-B Azabenzimidazole derivatives, their manufacture and use as anti-cancer agents HOFFMANN LA ROCHE 2010-12-29 CN claimed
US-20090227578-A1 Azabenzimidazole Derivatives, Their Manufacture and Use as Anti-Cancer Agents F. HOFFMANN-LA ROCHE AG (CH) 2009-09-10 US claimed
CN-101208338-A Azabenzimidazole derivatives, their manufacture and use as anti-cancer agents HOFFMANN LA ROCHE (CH) 2008-06-25 CN claimed
EP-1919910-B1 AZABENZIMIDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS ANTI-CANCER AGENTS HOFFMANN LA ROCHE (CH) 2011-02-23 EP disclosed
CN-101208338-B Azabenzimidazole derivatives, their manufacture and use as anti-cancer agents HOFFMANN LA ROCHE 2010-12-29 CN disclosed
US-20090227578-A1 Azabenzimidazole Derivatives, Their Manufacture and Use as Anti-Cancer Agents F. HOFFMANN-LA ROCHE AG (CH) 2009-09-10 US disclosed
CN-101208338-A Azabenzimidazole derivatives, their manufacture and use as anti-cancer agents HOFFMANN LA ROCHE (CH) 2008-06-25 CN disclosed
EP-1919910-A1 AZABENZIMIDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS ANTI-CANCER AGENTS F. Hoffmann-la Roche AG (CH) 2008-05-14 EP disclosed
WO-2007017143-A1 AZABENZIMIDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS ANTI-CANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 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-20090227578-A1 Azabenzimidazole Derivatives, Their Manufacture and Use as Anti-Cancer Agents AZI2, CDKN1A, CCNI NR2E3 2691/4885MMP2 1903/4885MMP9 1480/4885

“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.