SCHEMBL2415332

SCHEMBL2415332

O=C(Nc1n[nH]c2sc(C(=O)Nc3ccc(Cl)cc3)cc12)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
HDAC6 Q9UBN7 3/20 0.49
THRB P10828 1/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
XDH P47989 1/20 0.46
KMT2A Q03164 4/20 0.46
NT5E P21589 1/20 0.46
MAPK1 P28482 1/20 0.46
MAP4K4 O95819 2/20 0.46
CLK2 P49760 2/20 0.46
DYRK1A Q13627 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
ROCK2 O75116 1/20 0.46
PRKD3 O94806 1/20 0.46
RPS6KB1 P23443 1/20 0.46
ROCK1 Q13464 1/20 0.46
PRKG1 Q13976 1/20 0.46
PRKD2 Q9BZL6 1/20 0.46

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
SCHEMBL2415699 0.95 RAB9A (0.46) MAPTHDAC6THRBNPC1RAB9A
SCHEMBL2418639 0.95 RAB9A (0.46) MAPTHDAC6THRBNPC1RAB9A
SCHEMBL2414076 0.95 PTPN11 (0.46) MAPTHDAC6THRBNPC1RAB9A
SCHEMBL2418602 0.95 PTPN11 (0.46) MAPTHDAC6THRBNPC1RAB9A
SCHEMBL2421048 0.94 MAPT (0.52) MAPTHDAC6THRBNPC1RAB9A
SCHEMBL2416413 0.94 MAPT (0.54) MAPTHDAC6THRBNPC1RAB9A
SCHEMBL2418398 0.94 NPC1 (0.59) MAPTHDAC6THRBNPC1RAB9A
SCHEMBL2411577 0.92 RAB9A (0.49) HDAC6NPC1RAB9ASMN1; SMN2XDH
SCHEMBL2417391 0.92 RAB9A (0.49) HDAC6NPC1RAB9ASMN1; SMN2XDH
SCHEMBL2411898 0.92 TMPRSS4 (0.46) MAPTHDAC6THRBNPC1RAB9A

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 MAPT 2293/4885HDAC6 393/4885THRB 2599/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 MAPT 2293/4885HDAC6 393/4885THRB 2599/4885

“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.