SCHEMBL3613253

SCHEMBL3613253

CC(C)c1[nH]c(-c2ccnc(/C=C/c3ccccc3)c2)cc1C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 11/20 0.59
MAPKAPK2 P49137 9/20 0.51
CDK2 P24941 3/20 0.51
IKBKB O14920 2/20 0.51
JAK2 O60674 2/20 0.51
CDK1 P06493 2/20 0.51
GSK3B P49841 2/20 0.51
TAOK1 Q7L7X3 2/20 0.51
PLK4 O00444 1/20 0.51
CHEK1 O14757 1/20 0.51
AURKA O14965 1/20 0.51
CHUK O15111 1/20 0.51
MAPK13 O15264 1/20 0.51
PDPK1 O15530 1/20 0.51
DAPK3 O43293 1/20 0.51
DYRK3 O43781 1/20 0.51
ROCK2 O75116 1/20 0.51
PRKD3 O94806 1/20 0.51
CHEK2 O96017 1/20 0.51
ABL1 P00519 1/20 0.51

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
SCHEMBL3613256 1.00 CDC7 (0.59) CDC7MAPKAPK2CDK2IKBKBJAK2
SCHEMBL3610814 0.91 MAPKAPK2 (0.53) CDC7MAPKAPK2CDK2IKBKBJAK2
SCHEMBL3610813 0.91 MAPKAPK2 (0.53) CDC7MAPKAPK2CDK2IKBKBJAK2
SCHEMBL3619130 0.85 MAPKAPK2 (0.48) CDC7MAPKAPK2CDK2IKBKBJAK2
SCHEMBL3619124 0.85 MAPKAPK2 (0.48) CDC7MAPKAPK2CDK2IKBKBJAK2
SCHEMBL3614060 0.82 CDC7 (0.58) CDC7MAPKAPK2CDK2IKBKBJAK2
SCHEMBL3612128 0.82 CDC7 (0.58) CDC7MAPKAPK2CDK2IKBKBJAK2
SCHEMBL3610498 0.80 CDC7 (0.50) CDC7MAPKAPK2CDK2IKBKBJAK2
SCHEMBL3610500 0.80 CDC7 (0.50) CDC7MAPKAPK2CDK2IKBKBJAK2
SCHEMBL3617913 0.80 MAPKAPK2 (0.50) CDC7MAPKAPK2CDK2IKBKBJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US claimed
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US disclosed
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US disclosed
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US disclosed
WO-2008034600-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES NOVARTIS AG (CH) 2008-03-27 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-20100105664-A1 ORGANIC COMPOUNDS SLCO1B3, SLCO1B1, SLC10A6 CDC7 4089/4885MAPKAPK2 4395/4885CDK2 952/4885

“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.