SCHEMBL13672554

SCHEMBL13672554

CC(C)(C)c1cccc2[nH]c(CO)nc12

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.41
▸ KIF11 P52732 1/20 0.39
▸ PARP1 P09874 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ DDAH1 O94760 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ CACNA1G O43497 1/20 0.34
▸ CACNA1H O95180 1/20 0.34
▸ CACNA1C Q13936 1/20 0.34

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
SCHEMBL3938941 0.78 CHEK1 (0.57) CHEK1PARP1TDP1GRIN1GRIN2B
SCHEMBL4346855 0.78 MGAM (0.51) TDP1
SCHEMBL9533100 0.76 GRIN1 (0.55) CHEK1TDP1GRIN1GRIN2BPDE10A
SCHEMBL19000985 0.76 L3MBTL1 (0.47) KIF11PARP1TDP1CA2
SCHEMBL13672552 0.76 PARP1 (0.50) KIF11PARP1TDP1CA2CYP1A2
SCHEMBL6681270 0.75 CHEK1 (0.45) CHEK1PARP1TDP1DDAH1NPSR1
SCHEMBL21888901 0.75 — —
SCHEMBL9305996 0.75 KIF11 (0.42) CHEK1KIF11PARP1TDP1CA2
SCHEMBL9306197 0.75 KIF11 (0.42) KIF11PARP1TDP1CA2
SCHEMBL19008538 0.75 NUDT1 (0.47) KIF11PARP1TDP1CA2

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-20200115388-A1 IRAK4 MODULATORS GENENTECH, INC. (US) 2020-04-16 — — US disclosed
US-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors CORBETT JEFFREY WAYNE 2009-10-29 — — US disclosed
US-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors CORBETT JEFFREY WAYNE 2009-10-29 — — 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 (2 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-20200115388-A1 IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 CHEK1 796/4885KIF11 2290/4885PARP1 324/4885
US-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB CHEK1 1271/4885KIF11 1562/4885PARP1 1267/4885

“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.

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