SCHEMBL2421048

SCHEMBL2421048

O=C(Nc1n[nH]c2sc(C(=O)Nc3ccccc3)cc12)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
THRB P10828 1/20 0.52
AURKA O14965 1/20 0.48
HDAC6 Q9UBN7 2/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
PTPN1 P18031 2/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
FLT3 P36888 2/20 0.44
CLK2 P49760 2/20 0.44
MAP4K5 Q9Y4K4 2/20 0.44
CDC7 O00311 1/20 0.44
DAPK3 O43293 1/20 0.44
PAK4 O96013 1/20 0.44
CDK2 P24941 1/20 0.44
CSNK1A1 P48729 1/20 0.44
CDK7 P50613 1/20 0.44

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
SCHEMBL2416413 0.96 MAPT (0.54) MAPTTHRBAURKAHDAC6NPC1
SCHEMBL2415332 0.94 MAPT (0.49) MAPTTHRBHDAC6NPC1RAB9A
SCHEMBL2419927 0.92 AURKA (0.50) MAPTAURKAHDAC6NPC1RAB9A
SCHEMBL2414076 0.89 PTPN11 (0.46) MAPTTHRBHDAC6NPC1RAB9A
SCHEMBL2415699 0.89 RAB9A (0.46) MAPTTHRBHDAC6NPC1RAB9A
SCHEMBL2418639 0.89 RAB9A (0.46) MAPTTHRBHDAC6NPC1RAB9A
SCHEMBL2418602 0.89 PTPN11 (0.46) MAPTTHRBHDAC6NPC1RAB9A
SCHEMBL2419029 0.89 AURKA (0.51) MAPTAURKAHDAC6NPC1RAB9A
SCHEMBL2411528 0.89 MEN1 (0.50) MAPTAURKAHDAC6NPC1RAB9A
SCHEMBL2418398 0.89 NPC1 (0.59) MAPTTHRBHDAC6NPC1RAB9A

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-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-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

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 2293/4885THRB 2599/4885AURKA 41/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 MAPT 2293/4885THRB 2599/4885AURKA 41/4885

“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.