SCHEMBL3751902

SCHEMBL3751902

CC(=O)NCc1ccc(-c2cc(-c3c(N4CCOCC4)sc4c3CC(C)(C)CC4=O)ccn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.43
KDM1A O60341 6/20 0.43
HDAC6 Q9UBN7 1/20 0.35
BUB1 O43683 1/20 0.35
PIK3CA P42336 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
MTOR P42345 1/20 0.34
CFTR P13569 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
NAMPT P43490 1/20 0.34
JAK2 O60674 1/20 0.33

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
SCHEMBL3761533 0.92 KDM1A (0.40) HDAC1KDM1ABUB1PIK3CAPIK3CD
SCHEMBL3760904 0.89 ABL1 (0.39) HDAC1KDM1AHDAC6BUB1PIK3CA
SCHEMBL3761790 0.88 HDAC1 (0.37) HDAC1KDM1ABUB1PIK3CAPIK3CD
SCHEMBL3756839 0.88 JAK2 (0.45) BUB1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3757662 0.87 PIK3CD (0.38) HDAC1KDM1ABUB1PIK3CAPIK3CD
SCHEMBL3759201 0.86 PIK3CD (0.39) BUB1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3764953 0.86 PIK3CA (0.37) HDAC1KDM1ABUB1PIK3CAPIK3CD
SCHEMBL16161607 0.86 KDM1A (0.40) HDAC1KDM1ABUB1PIK3CAPIK3CD
SCHEMBL3758765 0.85 PIK3CA (0.40) BUB1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3760600 0.85 HDAC1 (0.40) HDAC1KDM1AHDAC6BUB1PIK3CA

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 HDAC1 669/4885KDM1A 3543/4885HDAC6 1007/4885

“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.