SCHEMBL2416163

SCHEMBL2416163

CC(C)NC(=O)c1cc2c(NC(=O)c3ccccc3F)n[nH]c2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.43
NPC1 O15118 9/20 0.42
RAB9A P51151 9/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
PLK4 O00444 1/20 0.41
PDPK1 O15530 1/20 0.41
DAPK3 O43293 1/20 0.41
DYRK3 O43781 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
CHEK2 O96017 1/20 0.41
CDK1 P06493 1/20 0.41
FES P07332 1/20 0.41
RET P07949 1/20 0.41
PIM1 P11309 1/20 0.41
FGFR1 P11362 1/20 0.41
FER P16591 1/20 0.41
CDK2 P24941 1/20 0.41

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
SCHEMBL2979430 0.88 TP53 (0.44) TP53NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2417540 0.88 BDKRB1 (0.51) TP53NPC1RAB9ASMN1; SMN2CDK2
SCHEMBL2415616 0.87 L3MBTL1 (0.46) TP53NPC1RAB9AALDH1A1MAP4K4
SCHEMBL4631861 0.86 RAB9A (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL2420153 0.85 NPC1 (0.42) TP53NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2414033 0.85 NPC1 (0.42) TP53NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2420086 0.85 NPC1 (0.50) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2414215 0.85 TP53 (0.49) TP53ALDH1A1FGFR1MAPK1AURKA
SCHEMBL2416647 0.84 MEN1 (0.48) TP53NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2416300 0.84 POLB (0.46) TP53NPC1RAB9ASMN1; SMN2ALDH1A1

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 10 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
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 TP53 282/4885NPC1 3758/4885RAB9A 2089/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 TP53 282/4885NPC1 3758/4885RAB9A 2089/4885

“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.