SCHEMBL2543648

SCHEMBL2543648

N#Cc1cnc(Nc2ccc3nc[nH]c3c2)c(N)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.53
▸ ADRA2C P18825 1/20 0.53
▸ ADRA1D P25100 1/20 0.53
▸ ADRA1A P35348 1/20 0.53
▸ ADRA1B P35368 1/20 0.53
▸ CDK1 P06493 14/20 0.49
▸ PRKCI P41743 1/20 0.46
▸ CDK4 P11802 3/20 0.45
▸ MAPK3 P27361 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ RAD52 P43351 1/20 0.44
▸ PIK3CA P42336 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ SYK P43405 1/20 0.40

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
SCHEMBL2543646 0.90 ADRA2A (0.41) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL2542673 0.81 KDM4E (0.53) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL2543205 0.81 CDK1 (0.46) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL7185783 0.78 EGFR (0.53) PIK3CASYK
SCHEMBL2543201 0.74 LRRK2 (0.43) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL27252329 0.73 TNF (0.40) KDM4EPIK3CASYK
SCHEMBL2542670 0.72 KDM4E (0.53) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL11134 0.70 PRKCI (0.53) PRKCIKDM4EMAPTRAD52
SCHEMBL29424823 0.70 PRKCI (0.53) PRKCIKDM4EMAPTRAD52
Hydrochloric Acid SCHEMBL3671411 0.69 KDM4E (0.55) PRKCIKDM4EMAPTRAD52

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 8 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

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 ADRA2A 4681/4885ADRA2C 4364/4885ADRA1D 4799/4885

“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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