SCHEMBL1136426

SCHEMBL1136426

Cc1ccc(NC(=O)C=Cc2ccncc2)cc1C(=O)Nc1cnc2[nH]c(-c3ccccc3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.52
MMP2 P08253 1/20 0.43
MMP13 P45452 1/20 0.43
EGFR P00533 1/20 0.43
MAOB P27338 1/20 0.42
NR2E3 Q9Y5X4 1/20 0.41
BLK P51451 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
JAK3 P52333 1/20 0.40
CDK8 P49336 1/20 0.40
MCHR1 Q99705 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KIT P10721 1/20 0.39

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
SCHEMBL1136425 1.00 BTK (0.52) BTKMMP2MMP13EGFRMAOB
SCHEMBL1136433 0.95 BTK (0.57) BTKMMP2MMP13EGFRMAOB
SCHEMBL1136434 0.95 BTK (0.57) BTKMMP2MMP13EGFRMAOB
SCHEMBL1136399 0.92 BTK (0.53) BTKEGFRNPC1RAB9A
SCHEMBL1136400 0.92 BTK (0.53) BTKEGFRNPC1RAB9A
SCHEMBL4599400 0.89 MMP2 (0.51) BTKMMP2MMP13MAOBNR2E3
SCHEMBL1136372 0.88 BTK (0.49) BTKMMP2MMP13EGFRALDH1A1
SCHEMBL1136373 0.88 BTK (0.49) BTKMMP2MMP13EGFRALDH1A1
SCHEMBL1136387 0.85 BTK (0.49) BTKALDH1A1LMNAMAPTHTT
SCHEMBL1136385 0.85 BTK (0.49) BTKALDH1A1LMNAMAPTHTT

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 1849/4885MMP2 1903/4885MMP13 2836/4885

“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.