SCHEMBL2413451

SCHEMBL2413451

CN1CCN(c2ccc(NC(=O)c3cc4c(NC(=O)Cc5ccccc5)n[nH]c4s3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
AURKA O14965 3/20 0.56
GLS O94925 4/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PDE7A Q13946 3/20 0.48
KIT P10721 1/20 0.48
FLT3 P36888 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
NR4A1 P22736 1/20 0.48
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
CDK1 P06493 1/20 0.47
CDK4 P11802 1/20 0.47
CDK2 P24941 1/20 0.47

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
SCHEMBL2418509 0.92 AURKA (0.49) NPC1RAB9AAURKAGLSPDE7A
SCHEMBL2416882 0.92 MAPT (0.49) NPC1RAB9AAURKAGLSPDE7A
SCHEMBL2418812 0.92 AURKA (0.49) NPC1RAB9AAURKAGLSPDE7A
SCHEMBL2416169 0.91 AURKA (0.50) NPC1RAB9AAURKAGLSPDE7A
SCHEMBL2982436 0.91 SMN1; SMN2 (0.59) NPC1RAB9AAURKAMEN1KMT2A
SCHEMBL2421399 0.90 NPC1 (0.51) NPC1RAB9AAURKAGLSMEN1
SCHEMBL2416736 0.89 AURKA (0.52) NPC1RAB9AAURKAGLSKMT2A
SCHEMBL2415752 0.89 AURKA (0.51) NPC1RAB9AAURKAGLSMEN1
SCHEMBL2418883 0.84 PDE7A (0.49) NPC1RAB9AMEN1KMT2APDE7A
SCHEMBL2418630 0.83 MAPT (0.52) AURKAMEN1KMT2APDE7ASMN1; SMN2

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 NPC1 3758/4885RAB9A 2089/4885AURKA 41/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 NPC1 3758/4885RAB9A 2089/4885AURKA 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.