SCHEMBL1136372

SCHEMBL1136372

Cc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1C(=O)Nc1cnc2[nH]c(-c3ccccc3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.49
KMT2A Q03164 6/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
MCHR1 Q99705 1/20 0.45
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 4/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
MMP2 P08253 2/20 0.42
MMP13 P45452 2/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
HPGD P15428 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
SCHEMBL1136373 1.00 BTK (0.49) BTKKMT2ANPC1RAB9ATDP1
SCHEMBL1136385 0.93 BTK (0.49) BTKKMT2ANPC1RAB9AMAPT
SCHEMBL1136387 0.93 BTK (0.49) BTKKMT2ANPC1RAB9AMAPT
SCHEMBL1136433 0.91 BTK (0.57) BTKKMT2ANPC1RAB9AMCHR1
SCHEMBL1136434 0.91 BTK (0.57) BTKKMT2ANPC1RAB9AMCHR1
SCHEMBL1136425 0.88 BTK (0.52) BTKKMT2ANPC1RAB9AMCHR1
SCHEMBL1136426 0.88 BTK (0.52) BTKKMT2ANPC1RAB9AMCHR1
SCHEMBL1136395 0.88 MEN1 (0.47) BTKKMT2ANPC1RAB9AMAPT
SCHEMBL1136396 0.88 MEN1 (0.47) BTKKMT2ANPC1RAB9AMAPT
SCHEMBL1136394 0.86 MAPT (0.47) KMT2ANPC1RAB9ATDP1MAPT

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
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-A1 AZABENZIMIDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS ANTI-CANCER AGENTS F. Hoffmann-la Roche AG (CH) 2008-05-14 EP claimed
WO-2007017143-A1 AZABENZIMIDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS ANTI-CANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-15 WO 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 BTK 1849/4885KMT2A 1130/4885NPC1 3134/4885

“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.