SCHEMBL3887134

SCHEMBL3887134

CCOC(=O)n1nc(NC(=O)c2ccc(CN3CCOCC3)o2)c2sc(C(=O)OC)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
TP53 P04637 3/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
MAPK1 P28482 3/20 0.41
LMNA P02545 3/20 0.41
TSHR P16473 3/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 3/20 0.41
STAT3 P40763 1/20 0.41
HTT P42858 2/20 0.41
NPC1 O15118 2/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HPGD P15428 3/20 0.38
POLB P06746 2/20 0.38
USP2 O75604 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL4083750 0.82 RAB9A (0.41) ALDH1A1NPSR1TP53SMN1; SMN2MAPK1
SCHEMBL3891847 0.79 ALDH1A1 (0.48) ALDH1A1NPSR1TP53SMN1; SMN2MAPK1
SCHEMBL3879905 0.75 POLB (0.46) NPSR1TP53SMN1; SMN2MAPK1LMNA
SCHEMBL3879105 0.75 MAPK1 (0.49) ALDH1A1NPSR1TP53SMN1; SMN2MAPK1
SCHEMBL3891082 0.75 MAPT (0.44) ALDH1A1NPSR1TP53LMNARAB9A
SCHEMBL3891798 0.74 RAB9A (0.52) ALDH1A1SMN1; SMN2MAPK1LMNATSHR
SCHEMBL3888588 0.74 CHRM1 (0.35) ALDH1A1NPSR1SMN1; SMN2LMNATSHR
SCHEMBL3882557 0.73 TP53 (0.44) ALDH1A1TP53SMN1; SMN2MAPK1LMNA
SCHEMBL3891831 0.72 P2RX3 (0.46) ALDH1A1SMN1; SMN2LMNARAB9AMAPT
SCHEMBL3880293 0.72 KDM4E (0.36) ALDH1A1NPSR1SMN1; SMN2MAPK1LMNA

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 3 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

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 ALDH1A1 3709/4885NPSR1 4651/4885TP53 446/4885

“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.