SCHEMBL3611540

SCHEMBL3611540

CCOC(=O)c1cc(-c2ccnc(Cl)c2)[nH]c1C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.51
CDK5 Q00535 6/20 0.49
CDK5R1 Q15078 6/20 0.49
CDC7 O00311 3/20 0.47
CASP1 P29466 1/20 0.42
GSK3B P49841 2/20 0.41
ROCK2 O75116 1/20 0.40
MAP4K4 O95819 1/20 0.40
CDK2 P24941 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
HIPK2 Q9H2X6 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
NUDT1 P36639 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
JMJD6 Q6NYC1 1/20 0.37
DBF4 Q9UBU7 1/20 0.37

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
SCHEMBL4099274 0.84 GCGR (0.53) GCGRCDK5CDK5R1CDC7CASP1
SCHEMBL4181389 0.81 GCGR (0.64) GCGRCDK5CDK5R1CDC7GSK3B
SCHEMBL3619124 0.79 MAPKAPK2 (0.48) GCGRCDK5CDK5R1CDC7GSK3B
SCHEMBL3619130 0.79 MAPKAPK2 (0.48) GCGRCDK5CDK5R1CDC7GSK3B
SCHEMBL15305081 0.75 GCGR (0.49) GCGRCDK5CDK5R1CDC7CASP1
SCHEMBL14283806 0.72 CDC7 (0.42) GCGRCDC7GSK3BROCK2MAP4K4
SCHEMBL4190717 0.72 GCGR (0.72) GCGRCDK5CDK5R1CDC7CASP1
SCHEMBL3609654 0.71 ALDH1A1 (0.51) GCGRCDK5CDK5R1GSK3BKDM4E
SCHEMBL13987828 0.70 CCNC (0.64) GCGRCDK5CDK5R1CASP1NUDT1
SCHEMBL3616057 0.69 CDC7 (0.40) GCGRCDC7GSK3BROCK2MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-101516874-A Pyrrole derivatives for the treatment of cytokine mediated diseases NOVARTIS AG (CH) 2009-08-26 CN disclosed
EP-2069333-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES Novartis Ag (CH) 2009-06-17 EP disclosed
WO-2008034600-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES NOVARTIS AG (CH) 2008-03-27 WO 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 GCGR 1279/4885CDK5 1574/4885CDK5R1 1278/4885

“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.