SCHEMBL3758763

SCHEMBL3758763

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 2/20 0.41
PIK3CD O00329 3/20 0.40
BRD4 O60885 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SYK P43405 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
PIK3CA P42336 3/20 0.36
PIK3CB P42338 2/20 0.36
PIK3CG P48736 2/20 0.36
PDE4B Q07343 1/20 0.36
NPSR1 Q6W5P4 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
MAPK10 P53779 3/20 0.35
MAPK9 P45984 2/20 0.35
LMNA P02545 2/20 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
SCHEMBL3770917 0.91 ALOX5AP (0.40) BUB1PIK3CDBRD4ALDH1A1GABRA1
SCHEMBL3759040 0.89 BRD4 (0.36) BUB1PIK3CDBRD4ALDH1A1GABRA1
SCHEMBL3765702 0.89 BRD4 (0.40) BUB1PIK3CDBRD4ALDH1A1GABRA1
SCHEMBL3765618 0.88 BRD4 (0.42) BUB1PIK3CDBRD4ALDH1A1GABRA1
SCHEMBL3760897 0.87 STK4 (0.43) BUB1PIK3CDALDH1A1GABRA1GABRG2
SCHEMBL3765073 0.87 LRRK2 (0.42) BUB1PIK3CDBRD4ALDH1A1GABRA1
SCHEMBL3762256 0.86 BRD4 (0.40) BUB1PIK3CDBRD4ALDH1A1GABRA1
SCHEMBL16161825 0.86 JAK2 (0.41) BUB1PIK3CDALDH1A1GABRA1GABRG2
SCHEMBL3764482 0.86 BUB1 (0.44) BUB1PIK3CDBRD4ALDH1A1GABRA1
SCHEMBL3763693 0.86 GABRA1 (0.48) BUB1PIK3CDBRD4ALDH1A1GABRA1

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 BUB1 565/4885PIK3CD 9/4885BRD4 1041/4885

“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.