SCHEMBL3608996

SCHEMBL3608996

N#Cc1cc(-c2ccnc(Cl)c2)[nH]c1N1CCN(C=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 3/20 0.38
MAPKAPK2 P49137 2/20 0.38
ROCK2 O75116 1/20 0.38
MAP4K4 O95819 1/20 0.38
CDK2 P24941 1/20 0.38
GSK3B P49841 1/20 0.38
HIPK2 Q9H2X6 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
PIM1 P11309 1/20 0.37
CDK9 P50750 1/20 0.37
RET P07949 1/20 0.34
ITGB2 P05107 3/20 0.34
ICAM1 P05362 3/20 0.34
ITGAL P20701 3/20 0.34
RIPK3 Q9Y572 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL3618285 0.86 ROCK2 (0.40) CDC7MAPKAPK2ROCK2MAP4K4CDK2
SCHEMBL3609410 0.84 CDK9 (0.49) CDC7MAPKAPK2ROCK2MAP4K4CDK2
Hydrochloric Acid SCHEMBL3617474 0.83 CDK9 (0.48) CDC7MAPKAPK2ROCK2MAP4K4CDK2
SCHEMBL14283758 0.83 CDC7 (0.40) CDC7MAPKAPK2ROCK2MAP4K4CDK2
SCHEMBL3618175 0.83 TBK1 (0.45) ROCK2KDM4EMAPK1TBK1
SCHEMBL3617304 0.81 KCNMA1 (0.44) CDC7MAPKAPK2ROCK2MAP4K4CDK2
SCHEMBL3616822 0.78 NR1H2 (0.47) RETTBK1
SCHEMBL3615497 0.77 KCNMA1 (0.48) CDC7MAPKAPK2ROCK2MAP4K4CDK2
SCHEMBL3618166 0.76 TBK1 (0.39) MAPKAPK2TBK1
SCHEMBL13408151 0.76 NR1H2 (0.44) RETKMT2ATBK1

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 4 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
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 CDC7 4089/4885MAPKAPK2 4395/4885ROCK2 3665/4885

“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.