SCHEMBL13312985

SCHEMBL13312985

COC(=O)c1ccc2nc(-c3cc(-c4cc(N)nc(C)n4)n[nH]c3=O)[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.47
ATR Q13535 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PKN1 Q16512 1/20 0.40
PKN2 Q16513 1/20 0.40
NPY5R Q15761 1/20 0.40
RHEB Q15382 1/20 0.40
SIRT2 Q8IXJ6 3/20 0.40
GSK3B P49841 2/20 0.40
SIRT1 Q96EB6 2/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 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
SCHEMBL3535211 0.88 BRD4 (0.46) BRD4ATRMMP2MMP9MMP8
SCHEMBL13237016 0.81 ATM (0.56) BRD4ATRMMP2MMP9MMP8
SCHEMBL5254620 0.73 GSK3B (0.38) ALDH1A1GSK3BTP53POLBMAPT
SCHEMBL2949266 0.73 ATM (0.48) BRD4MMP2MMP9MMP8MMP13
SCHEMBL6162528 0.72 PDGFRB (0.63) BRD4MMP2MMP9MMP8MMP13
SCHEMBL20982471 0.71 MMP2 (0.78) BRD4MMP2MMP9MMP8MMP13
SCHEMBL1249209 0.70 DGAT1 (0.65) BRD4ATRMMP2MMP9MMP8
SCHEMBL19747752 0.70 MMP2 (0.70) MMP2MMP9MMP8MMP13KDM4E
SCHEMBL30908290 0.70 KDM4E (0.61) BRD4MMP2MMP9MMP8MMP13
Hydrochloric Acid SCHEMBL19739317 0.69 MMP2 (0.68) MMP2MMP9MMP8MMP13KDM4E

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-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-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 (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-20070072866-A1 4-BENZIMIDAZOL-2-YL-PYRIDAZINE-3-ONE-DERIVATIVES, PRODUCTION AND USE THEREOF IN MEDICAMENTS GSK3B, GSK3A, PYGB BRD4 600/4885ATR 2340/4885MMP2 1717/4885

“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.