SCHEMBL3757704

SCHEMBL3757704

CC1(C)CC(=O)c2sc(N3CCOCC3)c(-c3cccc(N4CCOCC4)c3)c2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.42
PIK3CA P42336 2/20 0.42
PIK3CB P42338 2/20 0.42
PIK3CG P48736 2/20 0.42
BRD4 O60885 2/20 0.40
CREBBP Q92793 1/20 0.39
CYP1A1 P04798 2/20 0.37
CYP1B1 Q16678 2/20 0.37
KMO O15229 1/20 0.37
CYP1A2 P05177 1/20 0.37
PRKDC P78527 2/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
AR P10275 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
AGXT P21549 1/20 0.36

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
SCHEMBL3765952 0.94 HTR7 (0.42) PIK3CDPIK3CAPIK3CBPIK3CGBRD4
SCHEMBL3764852 0.92 KMO (0.38) PIK3CDPIK3CAPIK3CBPIK3CGBRD4
SCHEMBL3766682 0.91 KDM1A (0.40) PIK3CDPIK3CAPIK3CBPIK3CGBRD4
SCHEMBL3764864 0.91 PIK3CA (0.42) PIK3CDPIK3CAPIK3CBPIK3CGBRD4
SCHEMBL3758948 0.90 PIK3CD (0.42) PIK3CDPIK3CAPIK3CBPIK3CGBRD4
SCHEMBL3760569 0.89 PRKDC (0.46) PIK3CDPIK3CAPIK3CBPIK3CGBRD4
SCHEMBL3769311 0.87 HTT (0.46) PIK3CDPIK3CAPIK3CBPIK3CGBRD4
SCHEMBL3754814 0.87 PRKDC (0.46) PIK3CDPIK3CAPIK3CBPIK3CGBRD4
SCHEMBL3760317 0.87 HTR1A (0.42) PIK3CDPIK3CAPIK3CBPIK3CGBRD4
SCHEMBL3760529 0.86 PRKDC (0.47) PIK3CDPIK3CAPIK3CBPIK3CGBRD4

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 PIK3CD 9/4885PIK3CA 3/4885PIK3CB 11/4885

“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.