SCHEMBL3044714

SCHEMBL3044714

Nc1c(-c2ccccc2CO)cc(Br)c2c1C(=O)NC2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.45
WEE1 P30291 4/20 0.45
FTO Q9C0B1 1/20 0.37
BAZ2B Q9UIF8 3/20 0.34
BAZ2A Q9UIF9 3/20 0.34
HKDC1 Q2TB90 1/20 0.34
BRD4 O60885 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
GSK3B P49841 1/20 0.33
MEN1 O00255 2/20 0.32
POLB P06746 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PDK2 Q15119 1/20 0.32
PARP1 P09874 2/20 0.31
RGS12 O14924 1/20 0.31
USP2 O75604 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
SCHEMBL3046283 0.80 MAPT (0.40) CHEK1WEE1FTOGSK3BMEN1
SCHEMBL3048579 0.78 CHEK1 (0.43) CHEK1WEE1BRD4GSK3B
SCHEMBL3037404 0.69 TDP2 (0.37) MEN1POLBMAPTKMT2AALDH1A1
SCHEMBL3040023 0.69 CHEK1 (0.42) CHEK1WEE1GSK3BMAPTALDH1A1
SCHEMBL1425210 0.69 GAA (0.37) CHEK1WEE1FTOGSK3BMEN1
SCHEMBL793085 0.68 KDM4E (0.47) CHEK1WEE1GSK3BMEN1POLB
SCHEMBL3854593 0.67 ALDH1A1 (0.50) BAZ2BBAZ2ABRD4BRD9ALDH1A1
SCHEMBL1221964 0.66 PDCD1 (0.54) BAZ2BBAZ2ABRD4BRD9KMT2A
SCHEMBL3044668 0.65 WEE1 (0.46) CHEK1WEE1GSK3BMEN1MAPT
SCHEMBL3038080 0.65 CA1 (0.39) CHEK1WEE1GSK3B

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-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US 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

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 CHEK1 3306/4885WEE1 965/4885FTO 3580/4885

“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.