SCHEMBL3883007

SCHEMBL3883007

CCOC(=O)n1nc(NC(=O)NCCCN(C)C)c2sc(C(=O)OC)cc21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.36
PIK3CG P48736 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 2/20 0.34
ACKR3 P25106 1/20 0.34
QPCT Q16769 3/20 0.34
HTT P42858 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.31
BRD4 O60885 1/20 0.31
ADORA1 P30542 1/20 0.31
PDE4B Q07343 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL3881479 0.88 LMNA (0.38) KDM4EALDH1A1CYP1A2HTTTP53
SCHEMBL3880293 0.81 KDM4E (0.36) KDM4EALDH1A1HTTTSHRMAPT
SCHEMBL3882876 0.80 NAMPT (0.45) KDM4EALDH1A1TP53TSHRADORA1
SCHEMBL3885139 0.79 SMN1; SMN2 (0.43) KDM4EALDH1A1TP53TSHRMAPT
SCHEMBL3881422 0.79 SMN1; SMN2 (0.40) KDM4EALDH1A1CYP1A2HTTMAPT
SCHEMBL4207660 0.77 ALDH1A1 (0.36) KDM4EALDH1A1CYP1A2HTTTSHR
SCHEMBL3882557 0.77 TP53 (0.44) KDM4EALDH1A1TP53MAPTMAPK1
SCHEMBL3888588 0.75 CHRM1 (0.35) KDM4EALDH1A1HTTTSHRMAPT
SCHEMBL3883859 0.75 ALDH1A1 (0.46) KDM4EALDH1A1CYP1A2TP53TSHR
SCHEMBL3879105 0.74 MAPK1 (0.49) KDM4EALDH1A1HTTTP53TSHR

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 PIK3CA 65/4885PIK3CG 125/4885KDM4E 1936/4885

“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.