SCHEMBL3762529

SCHEMBL3762529

CC1(C)CNC(=O)c2sc(N3CCOCC3)c(I)c2C1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
HIF1A Q16665 1/20 0.56
PIK3CD O00329 3/20 0.41
PIK3CA P42336 3/20 0.41
PIK3CB P42338 3/20 0.41
PIK3CG P48736 3/20 0.41
TSHR P16473 1/20 0.41
ATAD2 Q6PL18 1/20 0.38
MAP2K2 P36507 13/20 0.36
MAP2K1 Q02750 13/20 0.36
BRD4 O60885 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
SCHEMBL3756847 0.85 HTT (0.56) HTTHIF1APIK3CDPIK3CAPIK3CB
SCHEMBL3761681 0.85 PIK3CD (0.54) HTTHIF1APIK3CDPIK3CAPIK3CB
SCHEMBL3764741 0.82 PIK3CA (0.52) HTTHIF1APIK3CDPIK3CAPIK3CB
SCHEMBL3759318 0.80 HTT (0.50) HTTHIF1APIK3CDPIK3CAPIK3CB
SCHEMBL3764678 0.79 MAP2K2 (0.49) HTTHIF1APIK3CATSHRMAP2K2
SCHEMBL16161712 0.77 HTT (0.47) HTTHIF1APIK3CDPIK3CAPIK3CB
SCHEMBL3761426 0.75 HTT (0.45) HTTHIF1APIK3CDPIK3CAPIK3CB
SCHEMBL3763104 0.73 HTT (0.43) HTTHIF1APIK3CDPIK3CAPIK3CB
SCHEMBL3762262 0.73 HTT (0.46) HTTHIF1APIK3CDPIK3CAPIK3CB
SCHEMBL303269 0.72 HTT (1.00) HTTHIF1APIK3CDPIK3CAPIK3CB

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
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

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 HTT 1234/4885HIF1A 2929/4885PIK3CD 9/4885

“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.