SCHEMBL2542673

SCHEMBL2542673

N#Cc1ccc(Nc2ccc3nc[nH]c3c2)c(N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ ADRA2A P08913 1/20 0.48
▸ ADRA2C P18825 1/20 0.48
▸ ADRA1D P25100 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ ADRA1B P35368 1/20 0.48
▸ PRKCI P41743 1/20 0.43
▸ CDK1 P06493 4/20 0.43
▸ CDK4 P11802 1/20 0.43
▸ MAPK3 P27361 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ RAD52 P43351 1/20 0.42
▸ HDAC3 O15379 1/20 0.41
▸ QPCT Q16769 6/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ CSNK1A1 P48729 1/20 0.39
▸ CSNK1D P48730 1/20 0.39
▸ GSK3B P49841 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
SCHEMBL2542670 0.90 KDM4E (0.53) KDM4EALDH1A1GAAADRA2AADRA2C
SCHEMBL2542914 0.82 LRRK2 (0.58) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL2543648 0.81 ADRA2A (0.53) KDM4EADRA2AADRA2CADRA1DADRA1A
SCHEMBL11134 0.78 PRKCI (0.53) KDM4EPRKCIMAPTRAD52ADORA2A
SCHEMBL29424823 0.78 PRKCI (0.53) KDM4EPRKCIMAPTRAD52ADORA2A
Hydrochloric Acid SCHEMBL3671411 0.76 KDM4E (0.55) KDM4EPRKCIMAPTRAD52ADORA2A
SCHEMBL7369210 0.74 IMPDH2 (0.59) KDM4EALDH1A1GAAPRKCIMAPT
SCHEMBL2542913 0.74 LRRK2 (0.59) MAPTLRRK2
SCHEMBL28292522 0.72 QPCT (0.53) KDM4EALDH1A1PRKCIMAPTRAD52
SCHEMBL2543646 0.72 ADRA2A (0.41) KDM4EALDH1A1ADRA2AADRA2CADRA1D

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 KDM4E 693/4885ALDH1A1 3717/4885GAA 238/4885

“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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