SCHEMBL3881571

SCHEMBL3881571

O=C(Nc1n[nH]c2cc(C(=O)O)oc12)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 10/20 0.61
KIT P10721 3/20 0.53
FLT3 P36888 2/20 0.53
KDR P35968 2/20 0.51
NTRK1 P04629 2/20 0.50
FGFR1 P11362 2/20 0.50
CDC7 O00311 1/20 0.50
CHEK1 O14757 1/20 0.50
JAK2 O60674 1/20 0.50
PAK4 O96013 1/20 0.50
PRKCB P05771 1/20 0.50
INSR P06213 1/20 0.50
RET P07949 1/20 0.50
PRKACA P17612 1/20 0.50
FLT4 P35916 1/20 0.50
JAK3 P52333 1/20 0.50
PDK1 Q15118 1/20 0.50
AURKB Q96GD4 1/20 0.50
STK26 Q9P289 1/20 0.50
AURKC Q9UQB9 1/20 0.50

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
SCHEMBL3881539 0.90 AURKA (0.60) AURKAKITFLT3NTRK1INSR
SCHEMBL4083450 0.87 HIF1A (0.54) AURKAFLT3
SCHEMBL4081182 0.85 AURKA (0.61) AURKAKITFLT3KDRNTRK1
SCHEMBL4078233 0.85 AURKA (0.54) AURKAKITFLT3KDRNTRK1
SCHEMBL2914525 0.83 AURKA (0.57) AURKAKITFLT3
SCHEMBL3882930 0.82 AURKA (0.62) AURKAKITFLT3KDRNTRK1
SCHEMBL4086831 0.82 AURKA (0.54) AURKAKITFLT3KDRNTRK1
SCHEMBL4083540 0.82 FGFR1 (0.50) AURKAFLT3KDRFGFR1CDC7
SCHEMBL4092896 0.81 HDAC6 (0.51) FLT3CDC7PAK4HDAC6MEN1
SCHEMBL3879252 0.81 GPR35 (0.45) FLT3NTRK1FGFR1CDC7PAK4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7485661-B2 Heterobicyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2009-02-03 US claimed
EP-1534716-B1 HETEROBICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-04-23 EP claimed
EP-2058315-A1 1H-Furo[3,2-C]Pyrazoles active as aurora kinase inhibitors Nerviano Medical Sciences S.r.l. (IT) 2009-05-13 EP disclosed
US-7485661-B2 Heterobicyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2009-02-03 US disclosed
EP-1534716-B1 HETEROBICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-04-23 EP disclosed
US-20060160874-A1 Heterobicyclic pyrazole derivatives as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2006-07-20 US disclosed
EP-1534716-A1 HETEROBICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2005-06-01 EP disclosed
WO-2004007504-A1 HETEROBICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2004-01-22 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 (1 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-20060160874-A1 Heterobicyclic pyrazole derivatives as kinase inhibitors MAP2K2, MAP3K15, MAP3K5 AURKA 239/4885KIT 608/4885FLT3 338/4885

“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.