SCHEMBL2415752

SCHEMBL2415752

CN1CCN(c2ccc(NC(=O)c3cc4c(NC(=O)Cc5ccccc5F)n[nH]c4s3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.51
KIT P10721 1/20 0.48
FLT3 P36888 1/20 0.48
PDE7A Q13946 3/20 0.46
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
BTK Q06187 2/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
GLS O94925 2/20 0.42

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
SCHEMBL2416736 0.91 AURKA (0.52) AURKAPDE7ANPC1RAB9ASMN1; SMN2
SCHEMBL2416181 0.91 MAPT (0.49) AURKAPDE7ANPC1RAB9ASMN1; SMN2
SCHEMBL2413451 0.89 NPC1 (0.60) AURKAKITFLT3PDE7ANPC1
SCHEMBL2418812 0.87 AURKA (0.49) AURKAKITPDE7ANPC1RAB9A
SCHEMBL4708665 0.86 CDK2 (0.41) AURKAKITFLT3NPC1RAB9A
SCHEMBL2418509 0.85 AURKA (0.49) AURKAPDE7ANPC1RAB9ASMN1; SMN2
SCHEMBL2414063 0.84 AURKA (0.60) AURKAKITFLT3
SCHEMBL2416882 0.84 MAPT (0.49) AURKAPDE7ANPC1RAB9ASMN1; SMN2
SCHEMBL2415218 0.83 MAPT (0.49) AURKAPDE7ANPC1RAB9ASMN1; SMN2
SCHEMBL2416169 0.83 AURKA (0.50) AURKAKITPDE7ANPC1RAB9A

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 AURKA 41/4885KIT 432/4885FLT3 236/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 AURKA 41/4885KIT 432/4885FLT3 236/4885

“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.