SCHEMBL2417005

SCHEMBL2417005

COc1ccccc1CNC(=O)c1cc2c(NC(=O)c3ccc(N4CCOCC4)cc3)n[nH]c2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 8/20 0.58
FGFR1 P11362 4/20 0.51
KDR P35968 2/20 0.51
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 1/20 0.49
KDM4E B2RXH2 1/20 0.46
KIT P10721 2/20 0.46
FLT3 P36888 1/20 0.46
NTRK1 P04629 2/20 0.46
CDC7 O00311 1/20 0.46
CHEK1 O14757 1/20 0.46
JAK2 O60674 1/20 0.46
PAK4 O96013 1/20 0.46
PRKCB P05771 1/20 0.46
INSR P06213 1/20 0.46
RET P07949 1/20 0.46
PRKACA P17612 1/20 0.46
FLT4 P35916 1/20 0.46
JAK3 P52333 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
SCHEMBL2419890 0.92 AURKA (0.59) AURKAFGFR1KDRKITFLT3
SCHEMBL2417119 0.90 AURKA (0.60) AURKAFGFR1KDRKITFLT3
SCHEMBL2417753 0.88 AURKA (0.60) AURKAFGFR1KDRKITFLT3
SCHEMBL2419087 0.88 AURKA (0.60) AURKAFGFR1KDRALDH1A1SMN1; SMN2
SCHEMBL742991 0.86 AURKA (0.76) AURKAFGFR1KDRALDH1A1KIT
SCHEMBL2410493 0.86 AURKA (0.61) AURKAFGFR1KDRSMN1; SMN2MAPT
SCHEMBL2419880 0.85 AURKA (0.63) AURKAFGFR1KDRMAPTKDM4E
SCHEMBL742155 0.85 FGFR1 (0.51) AURKAFGFR1KDRALDH1A1MAPT
SCHEMBL2416380 0.84 HPGD (0.48) ALDH1A1MAPTKDM4EPOLBCYP1A2
SCHEMBL2420405 0.83 AURKA (0.64) AURKAFGFR1KDRALDH1A1SMN1; 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 AURKA 41/4885FGFR1 346/4885KDR 1181/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 AURKA 41/4885FGFR1 346/4885KDR 1181/4885

“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.