SCHEMBL1427714

SCHEMBL1427714

CN(C)c1ncnc2c1NC=[N+]2

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 2/20 0.37
▸ AURKA O14965 2/20 0.37
▸ LRRK2 Q5S007 2/20 0.37
▸ PDPK1 O15530 1/20 0.37
▸ CHEK2 O96017 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.37
▸ PRKACA P17612 1/20 0.37
▸ CCNE1 P24864 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ MARK3 P27448 1/20 0.37
▸ RPS6KA3 P51812 1/20 0.37
▸ PRKCD Q05655 1/20 0.37
▸ MARK2 Q7KZI7 1/20 0.37
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL8856393 0.59 CHEK1 (0.47) CHEK1AURKALRRK2PDPK1CHEK2
SCHEMBL31268389 0.56 LRRK2 (0.44) CHEK1AURKALRRK2PDPK1CHEK2
SCHEMBL2316376 0.55 CHEK1 (0.42) CHEK1AURKALRRK2PDPK1CHEK2
SCHEMBL31029494 0.55 LRRK2 (0.39) CHEK1AURKALRRK2PDPK1CHEK2
Dimethyladenine SCHEMBL29349831 0.54 LRRK2 (1.00) CHEK1AURKALRRK2PDPK1CHEK2
SCHEMBL18519961 0.53 CHEK1 (0.41) CHEK1AURKALRRK2PDPK1CHEK2
SCHEMBL15086982 0.53 JAK3 (0.62) CHEK1AURKA
SCHEMBL31685448 0.53 CHEK1 (0.38) CHEK1AURKALRRK2PDPK1CHEK2
Dimethyladenine SCHEMBL11157548 0.53 PDPK1 (0.96) CHEK1AURKALRRK2PDPK1CHEK2
SCHEMBL13717980 0.53 CHEK1 (1.00) CHEK1AURKALRRK2PDPK1CHEK2

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
US-5641763-A N-phosphonylmethoxyalkyl derivatives of pyrimdine and purine bases and a therapeutical composition therefrom with antiviral activity INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 1997-06-24 — — US claimed
US-20130289013-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS SUNOVION PHARMACEUTICALS INC. 2013-10-31 — — US disclosed
US-8497278-B2 Imidazo[1,2-a]pyridine compounds SUNOVION PHARMACEUTICALS INC. (US) 2013-07-30 — — US disclosed
US-20110166146-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS SUNOVION PHARMACEUTICALS INC. (US) 2011-07-07 — — US disclosed
EP-2300470-A2 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS GABA-A RECEPTOR MODULATORS Sepracor Inc. (US) 2011-03-30 — — EP disclosed
WO-2009143156-A2 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS SEPRACOR INC. (US) 2009-11-26 — — WO disclosed
US-5631259-A PURINE BASE DERIVATIVES FOR NUCLEOSIDES HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-20 — — US disclosed
WO-1995031459-A1 MORPHOLINO-SUBUNIT COMBINATORIAL LIBRARY AND METHOD ANTIVIRALS INC. (US) 1995-11-23 — — WO disclosed
EP-0521463-A2 Substituted cyclic cycloalkyltriols, process, intermediates for their preparation and their use as antiviral and antiparasitic agents HOECHST AKTIENGESELLSCHAFT (DE) 1993-01-07 — — EP disclosed
US-3935184-A Synthetic polyoxin type nucleosides SYNTEX (U.S.A.) INC. (US) 1976-01-27 — — 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 (2 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-20110166146-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS PAICS, ITPA, DPYD CHEK1 3718/4885AURKA 1010/4885LRRK2 4215/4885
US-20130289013-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS PAICS, ITPA, DPYD CHEK1 3718/4885AURKA 1010/4885LRRK2 4215/4885

“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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