SCHEMBL2417626

SCHEMBL2417626

N#Cc1ccc(NC(=O)c2cc3c(NC(=O)c4ccccc4)n[nH]c3s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.51
F2 P00734 1/20 0.48
PLG P00747 1/20 0.48
PLAU P00749 1/20 0.48
KLKB1 P03952 1/20 0.48
PRSS1 P07477 1/20 0.48
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.46
CTNNB1 P35222 1/20 0.44
TCF7L2 Q9NQB0 1/20 0.44
ROCK2 O75116 2/20 0.43
CDC7 O00311 1/20 0.43
DAPK3 O43293 1/20 0.43
MAP4K4 O95819 1/20 0.43
PAK4 O96013 1/20 0.43
PIM1 P11309 1/20 0.43
CDK2 P24941 1/20 0.43
FLT3 P36888 1/20 0.43

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
SCHEMBL2412370 0.90 ITK (0.47) LRRK2MEN1NPC1RAB9AKMT2A
SCHEMBL2417972 0.90 CTNNB1 (0.45) LRRK2MEN1NPC1RAB9AKMT2A
SCHEMBL2411898 0.90 TMPRSS4 (0.46) LRRK2MEN1NPC1RAB9AKMT2A
SCHEMBL2419136 0.89 P2RY2 (0.46) LRRK2MEN1NPC1RAB9AKMT2A
SCHEMBL2419927 0.89 AURKA (0.50) MEN1NPC1RAB9AKMT2AROCK2
SCHEMBL2411619 0.89 NR1H4 (0.45) LRRK2MEN1NPC1RAB9AKMT2A
SCHEMBL2987943 0.88 RXFP1 (0.48) LRRK2PLAUMEN1NPC1RAB9A
SCHEMBL2417111 0.86 NPC1 (0.54) LRRK2MEN1NPC1RAB9AKMT2A
SCHEMBL2417849 0.86 NPC1 (0.54) LRRK2MEN1NPC1RAB9AKMT2A
SCHEMBL2416413 0.86 MAPT (0.54) MEN1NPC1RAB9AKMT2AROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7541378-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2009-06-02 US claimed
EP-1530573-B1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-03-19 EP claimed
US-8017643-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-09-13 US disclosed
US-20100286223-A1 Condensed Heterocyclic Pyrazole Derivatives as Kinase Inhibitors PFIZER ITALIA S.R.L. (IT) 2010-11-11 US disclosed
US-7786048-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2010-08-31 US disclosed
US-20090233813-A1 Condensed Heterocyclic Pyrazole Derivatives as Kinase Inhibitors PFIZER ITALIA S.R.L. (IT) 2009-09-17 US disclosed
US-7541378-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2009-06-02 US disclosed
EP-1530573-B1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-03-19 EP disclosed
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2006-06-08 US disclosed
EP-1530573-A1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2005-05-18 EP disclosed
WO-2004013146-A1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A (IT) 2004-02-12 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 (2 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-20100286223-A1 Condensed Heterocyclic Pyrazole Derivatives as Kinase Inhibitors CDK2, MAP3K19, MAP3K15 LRRK2 527/4885F2 2196/4885PLG 2428/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 LRRK2 527/4885F2 2196/4885PLG 2428/4885

“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.