SCHEMBL3879927

SCHEMBL3879927

COC(=O)c1cc2c(s1)c(NC(=O)c1cccc(N3CCN(C)CC3)c1)nn2C(=O)c1cccc(N2CCN(C)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 9/20 0.44
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
GLS O94925 3/20 0.42
PLOD2 O00469 1/20 0.42
PLOD3 O60568 1/20 0.42
PLOD1 Q02809 1/20 0.42
WDR5 P61964 1/20 0.41
KIT P10721 1/20 0.41
FLT3 P36888 1/20 0.41
WNT1 P04628 2/20 0.41
GSK3B P49841 2/20 0.41
DYRK1A Q13627 2/20 0.41
MAPK14 Q16539 1/20 0.40
NTRK1 P04629 1/20 0.40
NTRK3 Q16288 1/20 0.40
NTRK2 Q16620 1/20 0.40

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
SCHEMBL3891657 0.88 AURKA (0.53) AURKA
SCHEMBL3886215 0.81 AURKA (0.65) AURKAKITFLT3
SCHEMBL3882164 0.79 AURKA (0.47) AURKAFLT3
SCHEMBL3882918 0.79 AURKA (0.47) AURKAKITNTRK1
SCHEMBL3881861 0.76 WNT1 (0.42) AURKAKITFLT3WNT1GSK3B
SCHEMBL4697361 0.73 AURKA (0.69) AURKAKITFLT3
SCHEMBL3882916 0.73 KMT2A (0.44) AURKA
SCHEMBL1490676 0.72 PLOD2 (0.60) PLOD2PLOD3PLOD1WDR5
SCHEMBL3879764 0.72 AURKA (0.64) AURKAKITFLT3
SCHEMBL3880769 0.70 AURKA (0.80) AURKAKITFLT3

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 5 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 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 239/4885HTR1D 4076/4885HTR1B 3470/4885

“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.