SCHEMBL2543205

SCHEMBL2543205

N#Cc1cnc(Nc2ccc3nc[nH]c3c2)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 11/20 0.46
▸ CYP3A4 P08684 1/20 0.44
▸ NAMPT P43490 1/20 0.44
▸ XDH P47989 1/20 0.44
▸ ADRA2A P08913 1/20 0.43
▸ ADRA2C P18825 1/20 0.43
▸ ADRA1D P25100 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ ADRA1B P35368 1/20 0.43
▸ CDK4 P11802 2/20 0.42
▸ MAPK3 P27361 2/20 0.42
▸ LRRK2 Q5S007 2/20 0.42
▸ JAK2 O60674 2/20 0.41
▸ JAK3 P52333 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL2543201 0.92 LRRK2 (0.43) CDK1CYP3A4NAMPTXDHADRA2A
SCHEMBL2542914 0.84 LRRK2 (0.58) CDK1CYP3A4NAMPTXDHADRA2A
SCHEMBL2543648 0.81 ADRA2A (0.53) CDK1ADRA2AADRA2CADRA1DADRA1A
SCHEMBL7187168 0.81 EGFR (0.49) LRRK2JAK2JAK3TDP1
SCHEMBL29310772 0.77 POLB (0.46) LRRK2JAK2JAK3TDP1POLB
SCHEMBL2542913 0.76 LRRK2 (0.59) CYP3A4NAMPTXDHLRRK2MAPT
SCHEMBL2543646 0.72 ADRA2A (0.41) CDK1ADRA2AADRA2CADRA1DADRA1A
SCHEMBL25887391 0.71 VCAM1 (0.47) JAK2JAK3POLBMAPT
SCHEMBL30989701 0.71 VCAM1 (0.47) JAK2JAK3POLBMAPT
SCHEMBL31473390 0.71 JAK2 (0.42) JAK2JAK3TDP1MAPTMAPK1

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 CDK1 1547/4885CYP3A4 1974/4885NAMPT 744/4885

“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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