SCHEMBL1252141

SCHEMBL1252141

O=c1[nH]nc(CCN2CCN(c3ccccn3)CC2)c2c1CCCC2

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 8/20 0.59
▸ ADRA1D P25100 1/20 0.53
▸ ADRA1A P35348 1/20 0.53
▸ ADRA1B P35368 1/20 0.53
▸ POLB P06746 1/20 0.49
▸ DRD3 P35462 5/20 0.48
▸ DRD4 P21917 4/20 0.48
▸ HTR7 P34969 4/20 0.48
▸ DRD2 P14416 4/20 0.48
▸ HTR1A P08908 3/20 0.48
▸ HTR2A P28223 3/20 0.48
▸ HTR2C P28335 1/20 0.48
▸ SLC6A4 P31645 1/20 0.48
▸ DRD1 P21728 2/20 0.47
▸ ADRA2C P18825 1/20 0.47
▸ DRD5 P21918 1/20 0.47
▸ HRH1 P35367 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
SCHEMBL1252137 0.84 PARP1 (0.61) PARP1ADRA1DADRA1AADRA1BDRD2
SCHEMBL1251622 0.81 PARP1 (0.59) PARP1ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL1252033 0.80 PARP1 (0.55) PARP1
SCHEMBL1249810 0.79 PARP1 (0.68) PARP1
SCHEMBL1251424 0.78 PARP1 (0.59) PARP1
Hydrochloric Acid SCHEMBL1249723 0.78 PARP1 (0.59) PARP1
Hydrochloric Acid SCHEMBL1252081 0.77 PARP1 (0.58) PARP1
Hydrochloric Acid SCHEMBL1251899 0.77 PARP1 (0.58) PARP1
Hydrochloric Acid SCHEMBL1251383 0.77 HTR1A (0.54) PARP1ADRA1DADRA1AADRA1BHTR7
Hydrochloric Acid SCHEMBL1251391 0.76 PARP1 (0.57) PARP1ADRA1DADRA1AADRA1B

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 4/4885ADRA1D 1418/4885ADRA1A 1926/4885
US-20080261947-A1 FUSED PYRIDAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT MUSK, RNASE1, DPYD PARP1 4/4885ADRA1D 1399/4885ADRA1A 1892/4885

“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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