SCHEMBL3766045

SCHEMBL3766045

CN(C)CC(=O)c1ccccc1-c1[c]nccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
HCRTR1 O43613 3/20 0.35
HCRTR2 O43614 3/20 0.35
TP53 P04637 2/20 0.35
DRD2 P14416 1/20 0.34
HTR6 P50406 1/20 0.34
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
CNR2 P34972 1/20 0.33
BDKRB1 P46663 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
EGFR P00533 2/20 0.33
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
ADRA1D P25100 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
SCHEMBL3758756 0.81 MEN1 (0.54) ALDH1A1KDM4EHCRTR1HCRTR2TP53
SCHEMBL3764667 0.80 KEAP1 (0.49) ALDH1A1HCRTR1HCRTR2TP53MAPT
SCHEMBL3761226 0.79 KDM4C (0.44) ALDH1A1KDM4EKMT2ASMN1; SMN2EGFR
SCHEMBL3759345 0.77 ALDH1A1 (0.45) ALDH1A1KDM4EUSP2SMN1; SMN2GAA
SCHEMBL1200639 0.75 CSNK1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2GAAMAPT
SCHEMBL3769034 0.75 GAA (0.45) ALDH1A1KDM4EKMT2AMEN1BDKRB1
SCHEMBL3761435 0.74 TSHR (0.56) ALDH1A1KDM4EUSP2TP53KMT2A
SCHEMBL3754783 0.73 MAPT (0.36) ALDH1A1KDM4ETP53SMN1; SMN2CNR2
SCHEMBL3751946 0.73 NR4A2 (0.34) ALDH1A1KDM4ETSHR
SCHEMBL3762294 0.73 KMT2A (0.43) ALDH1A1KDM4EKMT2AMEN1MAPT

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
EP-2029570-B1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-10-15 EP disclosed
US-8324204-B2 Fused thiophene derivatives as kinase inhibitors UCB PHARMA SA (BE) 2012-12-04 US disclosed
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-12-02 US disclosed
WO-2009122148-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS PI3K KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-10-08 WO disclosed
WO-2009071895-A1 FUSED THIAZOLE AND THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed
WO-2009071890-A1 TRICYCLIC KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed
EP-2029570-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-04 EP disclosed
WO-2007141504-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2007-12-13 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-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors PIKFYVE, PI4KA, PIK3CA ALDH1A1 3061/4885KDM4E 1014/4885USP2 2537/4885

“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.