SCHEMBL1252240

SCHEMBL1252240

CS(=O)(=O)O.O=C(Cc1n[nH]c(=O)c2c1CCCC2)NCCN1CCCCCCC1

nearest known ligand 0.55

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 18/20 0.55
▸ CYP2D6 P10635 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL1252198 0.94 PARP1 (0.60) PARP1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL1251385 0.93 PARP1 (0.59) PARP1CYP2D6GAASMN1; SMN2
Hydrochloric Acid SCHEMBL1251196 0.92 PARP1 (0.58) PARP1CYP2D6GAASMN1; SMN2
SCHEMBL1252549 0.88 PARP1 (0.61) PARP1
SCHEMBL1251382 0.87 PARP1 (0.57) PARP1
SCHEMBL1251273 0.87 PARP1 (0.57) PARP1
Hydrochloric Acid SCHEMBL1251976 0.86 PARP1 (0.60) PARP1GAASMN1; SMN2
SCHEMBL1251260 0.85 PARP1 (0.62) PARP1CYP2D6
SCHEMBL1249992 0.84 PARP1 (0.56) PARP1
SCHEMBL1251276 0.83 PARP1 (0.43) PARP1CYP2D6

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 4/4885CYP2D6 3290/4885GAA 648/4885
US-20080261947-A1 FUSED PYRIDAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT MUSK, RNASE1, DPYD PARP1 4/4885CYP2D6 3357/4885GAA 651/4885

“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.

Send feedback