SCHEMBL3881479

SCHEMBL3881479

CCCNC(=O)Nc1nn(C(=O)OCC)c2cc(C(=O)OC)sc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
RAB9A P51151 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.33
HSD17B10 Q99714 3/20 0.33
TSHR P16473 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
MAPK14 Q16539 1/20 0.33
HTT P42858 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGAV P06756 1/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL3883007 0.88 PIK3CA (0.36) CYP1A2TP53MAPTTSHRHTT
SCHEMBL3880293 0.86 KDM4E (0.36) LMNARAB9ASMN1; SMN2MAPTNPC1
SCHEMBL3882876 0.85 NAMPT (0.45) LMNARAB9ATP53SMN1; SMN2MAPT
SCHEMBL3885139 0.84 SMN1; SMN2 (0.43) RAB9ATP53SMN1; SMN2MAPTNPC1
SCHEMBL3881422 0.83 SMN1; SMN2 (0.40) RAB9ACYP1A2CYP2C19SMN1; SMN2MAPT
SCHEMBL4207660 0.82 ALDH1A1 (0.36) LMNACYP1A2CYP2C19SMN1; SMN2HSD17B10
SCHEMBL3882557 0.81 TP53 (0.44) LMNARAB9ATP53SMN1; SMN2MAPT
SCHEMBL3888588 0.80 CHRM1 (0.35) LMNASMN1; SMN2MAPTNPC1HSD17B10
SCHEMBL3883859 0.80 ALDH1A1 (0.46) RAB9ACYP1A2CYP2C19TP53SMN1; SMN2
SCHEMBL3879905 0.79 POLB (0.46) LMNARAB9ACYP1A2CYP2C19TP53

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 LMNA 3710/4885RAB9A 1271/4885CYP1A2 1153/4885

“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.