SCHEMBL3766528

SCHEMBL3766528

CC(=O)Nc1cccc(-c2c(N3CCOCC3)sc3c2CC(C)(C)CC3=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 3/20 0.52
BRAF P15056 2/20 0.43
PIK3CA P42336 3/20 0.42
MTOR P42345 1/20 0.42
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
PIK3C2B O00750 3/20 0.41
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 1/20 0.40
NQO2 P16083 1/20 0.39
BUB1 O43683 1/20 0.39
NPC1 O15118 1/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38

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
SCHEMBL3754780 0.92 PRKDC (0.45) PRKDCBRAFPIK3CAMTORRAB9A
SCHEMBL3751898 0.91 NPC1 (0.46) PRKDCPOLBKDM4EALDH1A1RAB9A
SCHEMBL3765924 0.91 PIK3CA (0.44) PRKDCPIK3CAMTORALDH1A1HTT
SCHEMBL3760075 0.91 PRKDC (0.42) PRKDCPIK3CARAB9ABUB1NPC1
SCHEMBL3763361 0.91 PRKDC (0.42) PRKDCPIK3CARAB9ANPC1PIK3R1
SCHEMBL3759355 0.90 PRKDC (0.41) PRKDCALDH1A1RAB9AKMT2ABUB1
SCHEMBL3763545 0.90 RAB9A (0.46) PRKDCPIK3CAKDM4EALDH1A1HTT
SCHEMBL3759350 0.90 NPC1 (0.51) BRAFPIK3CAALDH1A1RAB9ANPC1
SCHEMBL3769346 0.89 MTOR (0.43) PRKDCPIK3CAMTORPIK3R1PIK3CD
SCHEMBL3766696 0.89 POLB (0.43) PRKDCPIK3CAMTORPOLBALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PRKDC 112/4885BRAF 20/4885PIK3CA 3/4885

“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.