SCHEMBL3038080

SCHEMBL3038080

Nc1c(I)cc(Br)c2c1C(=O)NC2=O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
CA9 Q16790 5/20 0.39
CHEK1 O14757 1/20 0.36
WEE1 P30291 1/20 0.36
GSK3B P49841 1/20 0.33
CA7 P43166 1/20 0.31
CA3 P07451 1/20 0.31

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
SCHEMBL1425210 0.82 GAA (0.37) CA1CA2CA9CHEK1WEE1
SCHEMBL26616696 0.72 PIM1 (0.38) CA1CA2CA9
SCHEMBL3046283 0.70 MAPT (0.40) CHEK1WEE1GSK3B
SCHEMBL29441220 0.67 PARP1 (0.43) CA1CA2CA9CHEK1WEE1
SCHEMBL11518277 0.67 PARP1 (0.43) CA1CA2CA9CHEK1WEE1
SCHEMBL3037404 0.66 TDP2 (0.37)
SCHEMBL3048579 0.66 CHEK1 (0.43) CA1CA2CA9CHEK1WEE1
SCHEMBL3039233 0.65 MEN1 (0.50) CA1CA2CA9CHEK1WEE1
SCHEMBL31717008 0.65 MEN1 (0.50) CA1CA2CA9CHEK1WEE1
SCHEMBL10796712 0.64 CA1 (0.50) CA1CA2CA9CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
US-7645557-B2 Positive resist composition for immersion exposure and pattern forming method using the same FUJIFILM CORPORATION (JP) 2010-01-12 US disclosed
EP-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 EP disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 EP disclosed
EP-1767992-A1 Positive resist composition for immersion exposure and pattern forming method using the same FUJIFILM Corporation (JP) 2007-03-28 EP disclosed
US-20070065753-A1 Positive resist composition for immersion exposure and pattern forming method using the same FUJI PHOTO FILM CO., LTD. 2007-03-22 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-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 CA1 1603/4885CA2 1798/4885CA9 2196/4885

“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.