SCHEMBL6544376

SCHEMBL6544376

O=C(O)Nc1c(Br)cncc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 2/20 0.39
AURKA O14965 2/20 0.39
DAPK3 O43293 2/20 0.39
CHEK2 O96017 2/20 0.39
CDK1 P06493 2/20 0.39
PIM1 P11309 2/20 0.39
PRKACA P17612 2/20 0.39
CDK2 P24941 2/20 0.39
MAPK9 P45984 2/20 0.39
CSNK1D P48730 2/20 0.39
GSK3A P49840 2/20 0.39
GSK3B P49841 2/20 0.39
RPS6KA3 P51812 2/20 0.39
CSNK2A1 P68400 2/20 0.39
DYRK1A Q13627 2/20 0.39
AURKB Q96GD4 2/20 0.39
PLK3 Q9H4B4 2/20 0.39
SGK2 Q9HBY8 2/20 0.39
PIM2 Q9P1W9 2/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL6543322 0.80 POLB (0.38) LMNAALDH1A1ALOX15ROCK1HTT
SCHEMBL6606334 0.73 KMT2A (0.40) LMNAALDH1A1KDRHTTSLC22A12
SCHEMBL20999462 0.72 ALDH1A1 (0.45) PLK4AURKADAPK3CHEK2CDK1
SCHEMBL29597422 0.72 ALDH1A1 (0.45) PLK4AURKADAPK3CHEK2CDK1
SCHEMBL17872653 0.70 MTOR (0.42) GSK3BLMNAALDH1A1MAPK1ALOX15
SCHEMBL6987821 0.69 DAPK3 (0.42) PLK4AURKADAPK3CHEK2CDK1
SCHEMBL23623516 0.68 ALDH1A1 (0.48) PLK4AURKADAPK3CHEK2CDK1
SCHEMBL24499488 0.68 ALDH1A1 (0.45) PLK4AURKADAPK3CHEK2CDK1
SCHEMBL17796920 0.66 ALDH1A1 (0.52) ALDH1A1FLT1KDRCHRNB2CHRNB4
SCHEMBL17376550 0.65 HSD17B10 (0.48) CDK2ALDH1A1MAPK1ALOX15TSHR

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
EP-1268469-B1 N-(HETEROCYCLYL)BENZENE OR PYRIDINE SULPHONAMIDES AS ANTITHROMBOTIC AGENTS AND ANTICOAGULANTS SANOFI SYNTHELABO (FR) 2004-06-16 EP disclosed
US-6680329-B2 N-(heterocyclyl)benzene or pyridinesulphonamides as antithrombotic agents and anticoagulants SANOFI-SYNTHELABO (FR) 2004-01-20 US disclosed
US-20030207920-A1 N-(heterocyclyl)benzene or pyridinesulphonamides as antithrombotic agents and anticoagulants SANOFI-AVENTIS (FR) 2003-11-06 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-20030207920-A1 N-(heterocyclyl)benzene or pyridinesulphonamides as antithrombotic agents and anticoagulants PROC, VKORC1, SERPINC1 PLK4 2339/4885AURKA 2995/4885DAPK3 3648/4885

“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.