SCHEMBL5525212

SCHEMBL5525212

Cn1nc(-c2cccs2)c2c3c(c(=O)[nH]c21)CCC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 11/20 1.00
▸ PIP4K2A P48426 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ CASP1 P29466 3/20 0.37
▸ CASP7 P55210 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ ADORA1 P30542 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ PRNP P04156 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ HCRTR1 O43613 1/20 0.35

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
SCHEMBL5528850 0.98 PARP1 (1.00) PARP1PIP4K2APIK3CGKDM4ECASP1
SCHEMBL5529540 0.78 PARP1 (0.95) PARP1KDM4EALDH1A1
SCHEMBL5522439 0.75 PARP1 (1.00) PARP1KDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL14836555 0.73 PARP1 (0.70) PARP1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL5517945 0.72 PARP1 (0.71) PARP1KDM4ELMNARAB9ANPC1
SCHEMBL4761629 0.72 PARP1 (1.00) PARP1KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL5525907 0.71 PARP1 (0.70) PARP1KDM4E
SCHEMBL9836935 0.71 PARP1 (0.97) PARP1KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL5534217 0.70 PARP1 (0.64) PARP1KDM4E
SCHEMBL14837129 0.70 PARP1 (0.64) PARP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1989204-B1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS ABBVIE INC (US) 2014-05-21 — — EP claimed
US-20070249597-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS ABBVIE INC. 2007-10-25 — — US claimed
EP-2468748-B1 Pyrazoloquinolones are potent parp inhibitors ABBVIE INC (US) 2016-05-25 — — EP disclosed
US-20140213610-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS ABBVIE INC. (US) 2014-07-31 — — US disclosed
EP-1989204-B1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS ABBVIE INC (US) 2014-05-21 — — EP disclosed
US-8546368-B2 Pyrazoloquinolones are potent PARP inhibitors ABBVIE INC. (US) 2013-10-01 — — US disclosed
EP-2468748-A1 Pyrazoloquinolones are potent parp inhibitors Abbott Laboratories (US) 2012-06-27 — — EP disclosed
US-20070249597-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS ABBVIE INC. 2007-10-25 — — US 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-20140213610-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP3 PARP1 1/4885PIP4K2A 668/4885PIK3CG 822/4885
US-20070249597-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP3 PARP1 1/4885PIP4K2A 668/4885PIK3CG 822/4885

“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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