SCHEMBL1375673

SCHEMBL1375673

O=c1[c]c(S)[nH]c2ncccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.50
PARP1 P09874 1/20 0.50
FEN1 P39748 1/20 0.45
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
LOXL3 P58215 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CHEK1 O14757 1/20 0.39
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
IDO1 P14902 1/20 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
SCHEMBL1374824 0.72 PARP1 (0.47) PARP1ADORA2AADORA1
SCHEMBL1376166 0.71 ALDH1A1 (0.48) PARP1FEN1ADORA2AADORA1ALDH1A1
SCHEMBL12396544 0.70 AURKA (0.65) AURKAPARP1FEN1ADORA2AADORA1
SCHEMBL30322758 0.70 AURKA (0.65) AURKAPARP1FEN1ADORA2AADORA1
SCHEMBL6303892 0.68 KMT2A (0.46) AURKAPARP1FEN1ADORA2AADORA1
SCHEMBL29406967 0.67 PARP1 (0.67) AURKAPARP1FEN1ADORA2AADORA1
SCHEMBL6531057 0.67 PARP1 (1.00) AURKAPARP1FEN1ADORA2AADORA1
SCHEMBL1441934 0.67 PARP1 (0.67) AURKAPARP1FEN1ADORA2AADORA1
SCHEMBL10528960 0.66 PARP1 (0.70) AURKAPARP1FEN1ADORA2AADORA1
SCHEMBL7272755 0.64 PARP1 (0.57) AURKAPARP1FEN1ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2394995-B1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2014-01-15 EP disclosed
US-8334236-B2 Ring-fused 2-pyridone derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2012-12-18 US disclosed
EP-2394995-A1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES Kumiai Chemical Industry CO., LTD. (JP) 2011-12-14 EP disclosed
US-20110287937-A1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2011-11-24 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-20110287937-A1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES CBR3, CBR1, CHRM1 AURKA 1877/4885PARP1 3931/4885FEN1 2392/4885

“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.