SCHEMBL1136433

SCHEMBL1136433

Cc1ccc(NC(=O)/C=C/c2ccccc2)cc1C(=O)Nc1cnc2[nH]c(-c3ccccc3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.57
MAOB P27338 2/20 0.47
MMP2 P08253 4/20 0.45
MMP13 P45452 1/20 0.45
MCHR1 Q99705 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CDK8 P49336 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NR2E3 Q9Y5X4 1/20 0.43
EGFR P00533 3/20 0.43
MMP1 P03956 3/20 0.43
MMP9 P14780 3/20 0.43
MAOA P21397 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL1136434 1.00 BTK (0.57) BTKMAOBMMP2MMP13MCHR1
SCHEMBL1136426 0.95 BTK (0.52) BTKMAOBMMP2MMP13MCHR1
SCHEMBL1136425 0.95 BTK (0.52) BTKMAOBMMP2MMP13MCHR1
SCHEMBL1136399 0.94 BTK (0.53) BTKNPC1RAB9AEGFR
SCHEMBL1136400 0.94 BTK (0.53) BTKNPC1RAB9AEGFR
SCHEMBL1136373 0.91 BTK (0.49) BTKMMP2MMP13MCHR1NPC1
SCHEMBL1136372 0.91 BTK (0.49) BTKMMP2MMP13MCHR1NPC1
SCHEMBL1136387 0.90 BTK (0.49) BTKNPC1RAB9AMEN1KMT2A
SCHEMBL1136385 0.90 BTK (0.49) BTKNPC1RAB9AMEN1KMT2A
SCHEMBL1136391 0.90 NR2E3 (0.46) BTKMAOBMMP2MMP13NPC1

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 BTK 1849/4885MAOB 659/4885MMP2 1903/4885

“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.