SCHEMBL3770917

SCHEMBL3770917

CC1(C)CC(=O)c2sc(N3CCOCC3)c(-c3ccnc(-c4ccccc4C(=O)N4CCOCC4)c3)c2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.40
FEN1 P39748 3/20 0.40
TP53 P04637 1/20 0.39
BRD4 O60885 1/20 0.38
BUB1 O43683 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SLC40A1 Q9NP59 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TGFBR1 P36897 1/20 0.36
GABRA1 P14867 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PIK3CD O00329 1/20 0.35

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
SCHEMBL3758763 0.91 BUB1 (0.41) BRD4BUB1ALDH1A1CYP1A2CYP3A4
SCHEMBL3759040 0.88 BRD4 (0.36) ALOX5APFEN1BRD4BUB1ALDH1A1
SCHEMBL3751663 0.87 PIK3CA (0.37) BUB1ALDH1A1TGFBR1GABRA1GABRG2
SCHEMBL3765618 0.87 BRD4 (0.42) BRD4BUB1ALDH1A1CYP1A2CYP3A4
SCHEMBL3765702 0.86 BRD4 (0.40) BRD4BUB1ALDH1A1GABRA1GABRG2
SCHEMBL3765073 0.86 LRRK2 (0.42) BRD4BUB1ALDH1A1GABRA1GABRG2
SCHEMBL3762256 0.85 BRD4 (0.40) BRD4BUB1ALDH1A1GABRA1GABRG2
SCHEMBL3764482 0.85 BUB1 (0.44) BRD4BUB1ALDH1A1GABRA1GABRG2
SCHEMBL3763693 0.85 GABRA1 (0.48) BRD4BUB1ALDH1A1CYP1A2CYP3A4
SCHEMBL3767531 0.85 PIK3CA (0.46) PIK3CDPIK3CA

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 ALOX5AP 3367/4885FEN1 1708/4885TP53 895/4885

“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.