SCHEMBL4922358

SCHEMBL4922358

CC(=O)Nc1cccc(-c2n[nH]c(=O)c3c2CCCC3)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 14/20 0.67
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
ROCK2 O75116 1/20 0.52
NAMPT P43490 1/20 0.52
PDE5A O76074 1/20 0.51
PDE1A P54750 1/20 0.51
PDE1B Q01064 1/20 0.51
PDE3B Q13370 1/20 0.51
PDE1C Q14123 1/20 0.51
PDE3A Q14432 1/20 0.51
TTK P33981 1/20 0.49
MAPK8 P45983 1/20 0.49
MAPT P10636 1/20 0.48
CHEK1 O14757 1/20 0.47

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
SCHEMBL6374893 0.89 PARP1 (0.55) PARP1PDE4APDE4BPDE4CPDE4D
Bromide SCHEMBL1251267 0.88 PARP1 (0.54) PARP1PDE4APDE4BPDE4CPDE4D
SCHEMBL14130974 0.87 PARP1 (0.53) PARP1PDE4APDE4BPDE4CPDE4D
SCHEMBL1252031 0.85 PARP1 (0.56) PARP1PDE5APDE1APDE1BPDE3B
SCHEMBL1251137 0.85 PARP1 (0.53) PARP1ROCK2NAMPT
Hydrochloric Acid SCHEMBL1252144 0.85 PARP1 (0.56) PARP1PDE4APDE4BPDE4CPDE4D
SCHEMBL1249640 0.83 PARP1 (0.54) PARP1
Hydrochloric Acid SCHEMBL1252682 0.82 PARP1 (0.66) PARP1PDE4APDE4BPDE4CPDE4D
SCHEMBL14130988 0.82 PDE4A (0.53) PARP1PDE4APDE4BPDE4CPDE4D
SCHEMBL4918497 0.82 PARP1 (0.57) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080261947-A1 FUSED PYRIDAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. 2008-10-23 US disclosed
US-20080261947-A1 FUSED PYRIDAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. 2008-10-23 US disclosed
US-7402580-B2 Fused pyridazine derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-07-22 US disclosed
US-20050085476-A1 Fused pyridazine derivative compounds and drugs containing the compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-04-21 US disclosed
EP-1477175-A1 FUSED PYRIDAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-11-17 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 (2 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-20050085476-A1 Fused pyridazine derivative compounds and drugs containing the compounds as the active ingredient MUSK, RNASE1, DPYD PARP1 4/4885PDE4A 3604/4885PDE4B 3815/4885
US-20080261947-A1 FUSED PYRIDAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT MUSK, RNASE1, DPYD PARP1 4/4885PDE4A 3567/4885PDE4B 3796/4885

“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.