SCHEMBL3731997

SCHEMBL3731997

COC(=O)c1sc(-n2cnc3ccncc32)cc1OCc1c(Cl)cccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 19/20 0.51
PLK3 Q9H4B4 1/20 0.50
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL3745331 0.89 PLK1 (0.65) PLK1PLK3
SCHEMBL5062720 0.85 PLK1 (0.68) PLK1PLK3
SCHEMBL3749238 0.83 PLK1 (0.65) PLK1PLK3
SCHEMBL3734993 0.82 PLK1 (0.52) PLK1PLK3
SCHEMBL3749155 0.82 PLK1 (0.66) PLK1PLK3CYP2C9
SCHEMBL3734344 0.81 PLK1 (0.66) PLK1PLK3
SCHEMBL3731189 0.81 PLK1 (0.55) PLK1PLK3
SCHEMBL3732384 0.81 PLK1 (0.48) PLK1PLK3
SCHEMBL3735006 0.80 PLK1 (0.56) PLK1PLK3
SCHEMBL3732510 0.80 PLK1 (0.64) PLK1PLK3

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
US-8273890-B2 Thiophene-imidazopyridines 4SC AG (DE) 2012-09-25 US disclosed
US-20100278833-A1 THIOPHENE-IMIDAZOPYRIDINES 4SC AG (DE) 2010-11-04 US disclosed
WO-2009003911-A1 THIOPHENE-IMIDAZOPYRIDINES 4SC AG (DE) 2009-01-08 WO 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-20100278833-A1 THIOPHENE-IMIDAZOPYRIDINES PIKFYVE, PIP4K2B, PIP5K1B PLK1 642/4885PLK3 1528/4885CYP1A2 2581/4885

“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.