SCHEMBL3759356

SCHEMBL3759356

CC1(C)CC(=O)c2sc(N3CCOCC3)c(-c3ccnc(-c4cccc(NC(=O)N5CCNCC5)c4)c3)c2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAK O14976 1/20 0.38
BUB1 O43683 1/20 0.38
NPC1 O15118 7/20 0.37
RAB9A P51151 7/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
JAK2 O60674 5/20 0.36
JAK3 P52333 4/20 0.36
TYK2 P29597 2/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
JAK1 P23458 3/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
FLT3 P36888 1/20 0.35
CCNA1 P78396 1/20 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
SCHEMBL3751903 0.93 NPC1 (0.41) GAKNPC1RAB9APIK3R1PIK3CA
SCHEMBL3761528 0.89 PLK4 (0.38) BUB1RAB9AROCK1JAK2PIK3CA
SCHEMBL3754780 0.89 PRKDC (0.45) BUB1NPC1RAB9AJAK2JAK3
SCHEMBL3762181 0.89 PIK3R1 (0.37) BUB1NPC1RAB9AJAK2JAK3
SCHEMBL3751898 0.87 NPC1 (0.46) GAKNPC1RAB9AALDH1A1CYP2C19
SCHEMBL3754886 0.87 BUB1 (0.36) BUB1NPC1RAB9AJAK2JAK3
SCHEMBL3760317 0.85 HTR1A (0.42) BUB1PIK3CA
SCHEMBL3761577 0.85 PRKDC (0.42) BUB1NPC1RAB9APIK3CAALDH1A1
SCHEMBL3757637 0.84 KDM4E (0.48) GAKNPC1RAB9AUSP2ALDH1A1
SCHEMBL16161666 0.84 POLB (0.42) GAKNPC1RAB9AUSP2ALDH1A1

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 GAK 106/4885BUB1 565/4885NPC1 3855/4885

“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.