SCHEMBL3756134

SCHEMBL3756134

CC1(C)CC(=O)c2sc(N3CCOCC3)c(-c3ccnc(-c4cc5ccccc5o4)c3)c2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
BUB1 O43683 1/20 0.40
PRKDC P78527 1/20 0.39
ATM Q13315 1/20 0.39
PIK3CD O00329 5/20 0.38
PIK3CA P42336 5/20 0.38
PIK3CG P48736 5/20 0.38
PIK3CB P42338 4/20 0.38
GABRA1 P14867 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37

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
SCHEMBL3754887 0.87 PRKDC (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3764482 0.86 BUB1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL3763693 0.86 GABRA1 (0.48) ALDH1A1BUB1PRKDCPIK3CDPIK3CA
SCHEMBL3769305 0.85 MAPKAPK2 (0.40) BUB1PRKDCPIK3CDPIK3CAPIK3CG
SCHEMBL3765618 0.83 BRD4 (0.42) ALDH1A1BUB1PIK3CDPIK3CAPIK3CG
SCHEMBL3761568 0.83 GABRA1 (0.46) RAB9ABUB1PIK3CDPIK3CAPIK3CG
SCHEMBL3765702 0.83 BRD4 (0.40) ALDH1A1BUB1PRKDCPIK3CDPIK3CA
SCHEMBL3758765 0.82 PIK3CA (0.40) RAB9AALDH1A1KDM4EBUB1PIK3CD
SCHEMBL3762256 0.82 BRD4 (0.40) ALDH1A1BUB1PIK3CDPIK3CAPIK3CG
SCHEMBL3766682 0.82 KDM1A (0.40) BUB1PIK3CDPIK3CAPIK3CGPIK3CB

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 NPC1 3855/4885RAB9A 713/4885SMN1; SMN2 1864/4885

“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.