SCHEMBL3040023

SCHEMBL3040023

Nc1c(-c2cccs2)cc(Br)c2c1C(=O)NC2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.42
WEE1 P30291 1/20 0.42
SLC6A11 P48066 1/20 0.40
MAOA P21397 2/20 0.39
LTK P29376 1/20 0.38
CDK5 Q00535 1/20 0.38
MST1R Q04912 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
MAOB P27338 2/20 0.37
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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 0.76 MAPT (0.40) CHEK1WEE1MAOADYRK1ACLK4
SCHEMBL20414677 0.75 TYMP (0.44) CHEK1WEE1SLC6A11MAOALTK
SCHEMBL18170821 0.74 CHEK1 (0.46) CHEK1WEE1SLC6A11MAOALTK
SCHEMBL3037404 0.71 TDP2 (0.37) KDM4ENPC1RAB9AALDH1A1GAA
SCHEMBL19143756 0.71 CHEK1 (0.52) CHEK1WEE1SLC6A11MAOALTK
SCHEMBL1425210 0.70 GAA (0.37) CHEK1WEE1ALDH1A1GAAMAPT
SCHEMBL606360 0.70 LTK (0.53) CHEK1WEE1SLC6A11MAOALTK
SCHEMBL28996620 0.70 KDM4E (0.43) LTKCDK5MST1RDYRK1ACLK4
SCHEMBL3044714 0.69 CHEK1 (0.45) CHEK1WEE1ALDH1A1MAPTPARP1
SCHEMBL28680527 0.69 CHEK1 (0.47) CHEK1WEE1SLC6A11MAOALTK

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

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 965/4885SLC6A11 1705/4885

“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.