SCHEMBL2419087

SCHEMBL2419087

O=C(Nc1n[nH]c2sc(C(=O)NCc3ccccc3Cl)cc12)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 9/20 0.60
KIT P10721 2/20 0.47
FGFR1 P11362 2/20 0.47
KDR P35968 2/20 0.47
NTRK1 P04629 2/20 0.47
CDC7 O00311 1/20 0.47
CHEK1 O14757 1/20 0.47
JAK2 O60674 1/20 0.47
PAK4 O96013 1/20 0.47
PRKCB P05771 1/20 0.47
INSR P06213 1/20 0.47
RET P07949 1/20 0.47
PRKACA P17612 1/20 0.47
FLT4 P35916 1/20 0.47
JAK3 P52333 1/20 0.47
PDK1 Q15118 1/20 0.47
AURKB Q96GD4 1/20 0.47
STK26 Q9P289 1/20 0.47
AURKC Q9UQB9 1/20 0.47
KDM4E B2RXH2 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
SCHEMBL2417154 0.91 AURKA (0.60) AURKAKITFLT3
SCHEMBL2417753 0.90 AURKA (0.60) AURKAKITFGFR1KDRNTRK1
SCHEMBL2417119 0.90 AURKA (0.60) AURKAKITFGFR1KDRNTRK1
SCHEMBL742991 0.88 AURKA (0.76) AURKAKITFGFR1KDRNTRK1
SCHEMBL2417005 0.88 AURKA (0.58) AURKAKITFGFR1KDRNTRK1
SCHEMBL2414379 0.87 AURKA (0.64) AURKAKITFGFR1KDRNTRK1
SCHEMBL2417437 0.86 AURKA (0.64) AURKAKITFGFR1KDRNTRK1
SCHEMBL2422116 0.84 MAPK3 (0.52) LMNASMN1; SMN2ROCK1
SCHEMBL2420405 0.84 AURKA (0.64) AURKAKITFGFR1KDRNTRK1
SCHEMBL2414796 0.84 AURKA (0.64) AURKAKITFGFR1KDRNTRK1

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 9 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
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 432/4885FGFR1 346/4885
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 AURKA 41/4885KIT 432/4885FGFR1 346/4885

“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.