SCHEMBL3759796

SCHEMBL3759796

CC1(C)CC(=O)c2sc(N3CCOCC3)c(-c3ccnc(-c4cccc(CC(=O)NC5CNC5)c4)c3)c2C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 1/20 0.35
KDM1A O60341 1/20 0.34
HDAC1 Q13547 1/20 0.34
ALDH1A1 P00352 3/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PIK3CA P42336 3/20 0.33
PIK3CD O00329 2/20 0.33
PIK3CB P42338 2/20 0.33
PIK3CG P48736 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
MAPT P10636 1/20 0.33
WNT3A P56704 2/20 0.32
JAK2 O60674 1/20 0.32
LRRK2 Q5S007 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
SCHEMBL3766681 0.93 ALDH1A1 (0.36) ALDH1A1RXFP1PIK3CAPIK3CDPIK3CB
SCHEMBL3757464 0.91 BUB1 (0.34) BUB1KDM1AHDAC1ALDH1A1RXFP1
SCHEMBL3756615 0.90 ATR (0.38) BUB1KDM1AHDAC1PIK3CAJAK2
SCHEMBL3761960 0.88 BUB1 (0.37) BUB1KDM1AHDAC1ALDH1A1RXFP1
SCHEMBL3766704 0.87 BUB1 (0.34) BUB1KDM1AHDAC1ALDH1A1RXFP1
SCHEMBL3767336 0.87 POLB (0.35) BUB1KDM1AHDAC1ALDH1A1PIK3CA
SCHEMBL3765171 0.87 SYK (0.35) BUB1KDM1AHDAC1ALDH1A1PIK3CA
SCHEMBL16161607 0.86 KDM1A (0.40) BUB1KDM1AHDAC1ALDH1A1PIK3CA
SCHEMBL3755286 0.86 AOC3 (0.38) BUB1KDM1AHDAC1ALDH1A1PIK3CA
SCHEMBL3765051 0.86 BUB1 (0.40) BUB1PIK3CAPIK3CDPIK3CBPIK3CG

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 565/4885KDM1A 3543/4885HDAC1 669/4885

“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.