SCHEMBL3579503

SCHEMBL3579503

O=C1NCCc2[nH]c3c(c21)CCc1cnc(Cl)cc1-3

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 20/20 0.66
CDC7 O00311 1/20 0.44
ROCK2 O75116 1/20 0.44
MAP4K4 O95819 1/20 0.44
CDK2 P24941 1/20 0.44
GSK3B P49841 1/20 0.44
HIPK2 Q9H2X6 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44

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
SCHEMBL31529797 0.85 MAPKAPK2 (0.66) MAPKAPK2
SCHEMBL31529806 0.80 MAPKAPK2 (0.58) MAPKAPK2
SCHEMBL1908915 0.79 MAPKAPK2 (0.67) MAPKAPK2
SCHEMBL31529936 0.79 MAPKAPK2 (0.60) MAPKAPK2CDC7
SCHEMBL31529937 0.79 MAPKAPK2 (0.60) MAPKAPK2CDC7
SCHEMBL1908920 0.78 MAPKAPK2 (0.62) MAPKAPK2
SCHEMBL30935150 0.77 MAPKAPK2 (0.56) MAPKAPK2CDC7
SCHEMBL1908837 0.77 MAPKAPK2 (0.67) MAPKAPK2
SCHEMBL1908916 0.77 MAPKAPK2 (0.56) MAPKAPK2
SCHEMBL1908977 0.76 MAPKAPK2 (0.68) MAPKAPK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069360-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-03-18 US disclosed
EP-2064212-A1 PYRROLO ISOQUINOLINES AS KINASE INHIBITORS Novartis AG (CH) 2009-06-03 EP disclosed
WO-2008025512-A1 PYRROLO ISOQUINOLINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2008-03-06 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-20100069360-A1 ORGANIC COMPOUNDS SLCO1B3, CYP3A7, SLCO1B1 MAPKAPK2 4563/4885CDC7 3142/4885ROCK2 3747/4885

“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.