SCHEMBL3620694

SCHEMBL3620694

N#Cc1cc(-c2ccnc(-c3ccc4[nH]ccc4c3)c2)[nH]c1N1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.45
CDK9 P50750 2/20 0.45
CDC7 O00311 2/20 0.45
TBK1 Q9UHD2 2/20 0.41
MAP3K11 Q16584 2/20 0.40
MAPKAPK2 P49137 2/20 0.38
PRKD1 Q15139 3/20 0.38
PRKD2 Q9BZL6 3/20 0.38
CHEK1 O14757 2/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
CDC42BPB Q9Y5S2 1/20 0.38
JAK2 O60674 1/20 0.38
NISCH Q9Y2I1 1/20 0.37
IMPDH2 P12268 1/20 0.36
IMPDH1 P20839 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL3617276 0.94 PIM1 (0.45) PIM1CDK9CDC7TBK1MAP3K11
SCHEMBL13442728 0.90 MAP3K11 (0.40) PIM1CDK9CDC7MAP3K11MAPKAPK2
SCHEMBL14282898 0.86 MAP3K11 (0.41) PIM1CDK9CDC7MAP3K11MAPKAPK2
SCHEMBL3615890 0.83 PIM1 (0.42) PIM1CDK9CDC7MAPKAPK2PRKD1
SCHEMBL13408118 0.82 PRKD1 (0.44) PIM1CDK9CDC7TBK1MAPKAPK2
SCHEMBL3614980 0.81 PIM1 (0.45) PIM1CDK9CDC7TBK1MAPKAPK2
SCHEMBL3614476 0.81 PIM1 (0.41) PIM1CDK9CDC7MAPKAPK2PRKD1
SCHEMBL13408086 0.81 MAPKAPK2 (0.52) PIM1CDK9CDC7MAPKAPK2PRKD1
SCHEMBL13408105 0.80 PIM1 (0.44) PIM1CDK9CDC7TBK1MAPKAPK2
SCHEMBL13408182 0.80 CNR2 (0.45) PIM1CDK9CDC7MAPKAPK2

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 claimed
EP-2069333-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES Novartis Ag (CH) 2009-06-17 EP claimed
WO-2008034600-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES NOVARTIS AG (CH) 2008-03-27 WO 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
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

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 PIM1 837/4885CDK9 1238/4885CDC7 4089/4885

“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.