SCHEMBL1136446

SCHEMBL1136446

O=C(Nc1ccc(Cl)c(C(=O)Nc2cnc3[nH]c(-c4ccccc4)nc3c2)c1)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
DGAT1 O75907 1/20 0.50
NR2E3 Q9Y5X4 1/20 0.48
RAB9A P51151 3/20 0.47
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
MAPK1 P28482 2/20 0.46
GAA P10253 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
PPARG P37231 1/20 0.45
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
NPC1 O15118 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LCK P06239 1/20 0.44
KDR P35968 1/20 0.44
MAPK14 Q16539 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL1136389 0.91 DGAT1 (0.54) DGAT1RAB9AMAPTSMN1; SMN2MAPK1
SCHEMBL4460878 0.88 RAB9A (0.57) DGAT1NR2E3RAB9AMAPTSMN1; SMN2
SCHEMBL1136390 0.87 NR2E3 (0.59) KMT2ANR2E3MAPTSMN1; SMN2LMNA
SCHEMBL1136397 0.87 NR2E3 (0.61) KMT2ANR2E3RAB9AMAPTSMN1; SMN2
SCHEMBL1136351 0.82 NR2E3 (0.55) KMT2ANR2E3MAPTSMN1; SMN2MAPK1
SCHEMBL1368499 0.81 BRAF (0.55) KMT2ARAB9AMAPTSMN1; SMN2MAPK1
SCHEMBL1136458 0.79 CHEK2 (0.52) NR2E3MAPTSMN1; SMN2MAPK1KDR
SCHEMBL4476538 0.79 RAB9A (0.67) DGAT1NR2E3RAB9AMAPTSMN1; SMN2
SCHEMBL4481398 0.78 MT-CO2 (0.50) NR2E3RAB9AMAPTSMN1; SMN2MAPK1
SCHEMBL6120607 0.78 HPSE (0.59) KMT2ADGAT1RAB9AMAPTCYP3A4

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 6 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
US-20090227578-A1 Azabenzimidazole Derivatives, Their Manufacture and Use as Anti-Cancer Agents F. HOFFMANN-LA ROCHE AG (CH) 2009-09-10 US claimed
EP-1919910-B1 AZABENZIMIDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS ANTI-CANCER AGENTS HOFFMANN LA ROCHE (CH) 2011-02-23 EP 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
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 KMT2A 1130/4885DGAT1 3901/4885NR2E3 2691/4885

“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.