SCHEMBL1252281

SCHEMBL1252281

COc1ccc(N2CCN(CCc3n[nH]c(=O)c4c3N(OS(C)(=O)=O)CCC4)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.44
▸ DRD3 P35462 5/20 0.42
▸ TNKS O95271 1/20 0.41
▸ TNKS2 Q9H2K2 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ ADRA1D P25100 2/20 0.41
▸ ADRA1A P35348 2/20 0.41
▸ ADRA1B P35368 2/20 0.41
▸ HTR7 P34969 5/20 0.40
▸ HTR1A P08908 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 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
SCHEMBL1252191 0.89 PARP1 (0.41) PARP1HTR7
SCHEMBL1252279 0.79 PARP1 (0.58) PARP1DRD3DRD2
SCHEMBL1252122 0.73 PARP1 (0.46) PARP1
Hydrochloric Acid SCHEMBL1252446 0.71 DCTPP1 (0.53) PARP1TNKSTNKS2DRD2HTR7
SCHEMBL1249839 0.70 GAA (0.51) PARP1TNKSTNKS2GAA
Hydrochloric Acid SCHEMBL1251391 0.70 PARP1 (0.57) PARP1ADRA1DADRA1AADRA1B
SCHEMBL1251276 0.70 PARP1 (0.43) PARP1
SCHEMBL1252137 0.68 PARP1 (0.61) PARP1TNKSTNKS2DRD2ADRA1D
SCHEMBL1252188 0.67 PARP1 (0.54) PARP1
SCHEMBL1249951 0.67 NPC1 (0.38) 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
EP-2281818-A1 Fused pyridazine derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2011-02-09 — — EP 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 4/4885DRD3 2887/4885TNKS 297/4885
US-20080261947-A1 FUSED PYRIDAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT MUSK, RNASE1, DPYD PARP1 4/4885DRD3 2903/4885TNKS 295/4885

“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.

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