SCHEMBL13237019

SCHEMBL13237019

CCN(CC)CCNC(=O)c1ccc2nc(-c3cc(-c4ccncc4)n[nH]c3=O)[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.47
UBE2N P61088 1/20 0.47
FLT3 P36888 4/20 0.47
HDAC6 Q9UBN7 3/20 0.47
IKBKB O14920 1/20 0.46
MAPT P10636 2/20 0.45
PKN1 Q16512 2/20 0.45
PKN2 Q16513 2/20 0.45
MET P08581 1/20 0.42
GAA P10253 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
GSK3B P49841 1/20 0.40

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
SCHEMBL13237022 0.86 FLT3 (0.53) FLT3HDAC6MAPTPKN1PKN2
SCHEMBL13237025 0.82 NAMPT (0.55) RAD52FLT3GAAKDM4EMEN1
SCHEMBL13237021 0.82 GSK3B (0.53) RAD52FLT3HDAC6METHDAC3
SCHEMBL5255365 0.81 GSK3B (0.38) RAD52UBE2NHDAC6PKN1PKN2
SCHEMBL13237020 0.81 FLT3 (0.45) FLT3PKN1PKN2GSK3B
SCHEMBL21017950 0.81 HDAC6 (0.67) HDAC6HDAC3HDAC1HDAC8
SCHEMBL13237016 0.80 ATM (0.56) HDAC6MAPTPKN1PKN2GAA
SCHEMBL13237024 0.80 FLT3 (0.48) FLT3PKN1PKN2KDM4E
SCHEMBL18164011 0.80 RAD52 (0.44) RAD52UBE2NFLT3HDAC6IKBKB
SCHEMBL2941275 0.80 PKN1 (0.54) MAPTPKN1PKN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754713-B2 4-benzimidazol-2-ylpyridazin-3-one derivatives AVENTIS PHARMA S.A. (FR) 2010-07-13 US disclosed
US-7754713-B2 4-benzimidazol-2-ylpyridazin-3-one derivatives AVENTIS PHARMA S.A. (FR) 2010-07-13 US disclosed
US-7727989-B2 4-benzimidazol-2-yl-pyridazine-3-one-derivatives, production and use thereof in medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-06-01 US disclosed
US-7727989-B2 4-benzimidazol-2-yl-pyridazine-3-one-derivatives, production and use thereof in medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-06-01 US disclosed
US-20090042880-A1 NOVEL 4-BENZIMIDAZOL-2-YLPYRIDAZIN-3-ONE DERIVATIVES AVENTIS PHARMA S.A. (FR) 2009-02-12 US disclosed
US-20090042880-A1 NOVEL 4-BENZIMIDAZOL-2-YLPYRIDAZIN-3-ONE DERIVATIVES AVENTIS PHARMA S.A. (FR) 2009-02-12 US disclosed
US-7470689-B2 4-benzimidazol-2-ylpyridazin-3-one derivatives AVENTIS PHARMA S.A. (FR) 2008-12-30 US disclosed
US-7470689-B2 4-benzimidazol-2-ylpyridazin-3-one derivatives AVENTIS PHARMA S.A. (FR) 2008-12-30 US disclosed
US-20070173503-A1 Novel 4-benzimidazol-2-ylpyridazin-3-one derivatives AVENTIS PHARMA S.A. (FR) 2007-07-26 US disclosed
US-20070173503-A1 Novel 4-benzimidazol-2-ylpyridazin-3-one derivatives AVENTIS PHARMA S.A. (FR) 2007-07-26 US disclosed
US-20070072866-A1 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-03-29 US disclosed
US-20070072866-A1 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-03-29 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 (3 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-20070173503-A1 Novel 4-benzimidazol-2-ylpyridazin-3-one derivatives CDK2, CDK1, CDK4 RAD52 1711/4885UBE2N 866/4885FLT3 427/4885
US-20070072866-A1 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS GSK3B, GSK3A, PYGB RAD52 4625/4885UBE2N 3800/4885FLT3 2422/4885
US-20090042880-A1 NOVEL 4-BENZIMIDAZOL-2-YLPYRIDAZIN-3-ONE DERIVATIVES CDK2, CDK1, CDK4 RAD52 1795/4885UBE2N 877/4885FLT3 451/4885

“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.