SCHEMBL1252137

SCHEMBL1252137

O=c1[nH]nc(CCN2CCN(c3ccccc3)CC2)c2c1CCCC2

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 17/20 0.61
▸ HTR1A P08908 1/20 0.49
▸ DRD2 P14416 1/20 0.49
▸ TNKS O95271 1/20 0.47
▸ TNKS2 Q9H2K2 1/20 0.47
▸ ADRA1D P25100 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ ADRA1B P35368 1/20 0.46

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
Hydrochloric Acid SCHEMBL1252033 0.88 PARP1 (0.55) PARP1
Hydrochloric Acid SCHEMBL1251391 0.87 PARP1 (0.57) PARP1ADRA1DADRA1AADRA1B
SCHEMBL1249810 0.85 PARP1 (0.68) PARP1
SCHEMBL1251622 0.85 PARP1 (0.59) PARP1ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL1252446 0.84 DCTPP1 (0.53) PARP1HTR1ADRD2TNKSTNKS2
SCHEMBL1252141 0.84 PARP1 (0.59) PARP1HTR1ADRD2ADRA1DADRA1A
SCHEMBL1251428 0.82 PARP1 (0.57) PARP1DRD2ADRA1B
Hydrochloric Acid SCHEMBL1249723 0.82 PARP1 (0.59) PARP1
SCHEMBL1251424 0.82 PARP1 (0.59) PARP1
SCHEMBL1251325 0.81 PARP1 (0.64) 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 4/4885HTR1A 2209/4885DRD2 2227/4885
US-20080261947-A1 FUSED PYRIDAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT MUSK, RNASE1, DPYD PARP1 4/4885HTR1A 2196/4885DRD2 2255/4885

“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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