SCHEMBL2543201

SCHEMBL2543201

N#Cc1cnc(Nc2ccc3[nH]cnc3c2)c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.43
▸ JAK2 O60674 2/20 0.41
▸ JAK3 P52333 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ CDK1 P06493 4/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ XDH P47989 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CARM1 Q86X55 1/20 0.37
▸ PRMT1 Q99873 1/20 0.37
▸ MERTK Q12866 1/20 0.37
▸ HSF1 Q00613 1/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ CDK4 P11802 1/20 0.36
▸ MAPK3 P27361 1/20 0.36
▸ VCAM1 P19320 1/20 0.35
▸ ADRA2A P08913 1/20 0.35

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
SCHEMBL2543205 0.92 CDK1 (0.46) LRRK2JAK2JAK3TDP1CDK1
SCHEMBL2542913 0.84 LRRK2 (0.59) LRRK2CYP3A4NAMPTXDHMAPT
SCHEMBL7187168 0.83 EGFR (0.49) LRRK2JAK2JAK3TDP1HSF1
SCHEMBL2543646 0.81 ADRA2A (0.41) TDP1CDK1MAPTABCG2CDK4
SCHEMBL2542914 0.76 LRRK2 (0.58) LRRK2CDK1CYP3A4NAMPTXDH
SCHEMBL29310772 0.76 POLB (0.46) LRRK2JAK2JAK3TDP1POLB
SCHEMBL29393230 0.74 FGFR4 (0.47) CDK1CYP3A4NAMPTXDHPOLB
SCHEMBL21672282 0.74 FGFR4 (0.47) CDK1CYP3A4NAMPTXDHPOLB
SCHEMBL2543648 0.74 ADRA2A (0.53) CDK1MAPTCDK4MAPK3ADRA2A
SCHEMBL7845762 0.71 GABRP (0.40) LRRK2JAK2JAK3TDP1POLB

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-2560953-A2 NOVEL INHIBITORS Probiodrug AG (DE) 2013-02-27 — — EP claimed
WO-2011131748-A2 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-10-27 — — WO claimed
US-20110262388-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-10-27 — — US claimed
US-8541596-B2 Inhibitors PROBIODRUG AG (DE) 2013-09-24 — — US disclosed
EP-2560953-A2 NOVEL INHIBITORS Probiodrug AG (DE) 2013-02-27 — — EP disclosed
WO-2011131748-A2 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-10-27 — — WO disclosed
US-20110262388-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-10-27 — — US disclosed
US-6582351-B1 Benzimidazole heterocyclic compounds having pharmacological activities, and their use as a medicament for treatment or prevention of diseases mediated by cGMP-PDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-24 — — US disclosed
EP-1196391-A1 BENZIMIDAZOLONE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-17 — — EP disclosed
WO-2001005770-A1 BENZIMIDAZOLONE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-25 — — 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-20110262388-A1 NOVEL INHIBITORS GLUL, QPCT, GLS LRRK2 1317/4885JAK2 1442/4885JAK3 1861/4885

“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.

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