SCHEMBL5533986

SCHEMBL5533986

Cc1nn(Cc2ccccc2)c2[nH]c(=O)c3c(c12)CCCC3

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.65
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
HSD17B10 Q99714 1/20 0.42
PDE5A O76074 1/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
AGTR1 P30556 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL5525419 0.79 PARP1 (1.00) PARP1MEN1KMT2AHSD17B10KDM4E
SCHEMBL31194533 0.78 PDE5A (0.47) MEN1KMT2ACA12CA9HSD17B10
SCHEMBL4724958 0.75 PARP1 (0.63) PARP1KDM4EALDH1A1
SCHEMBL4761629 0.73 PARP1 (1.00) PARP1KDM4EHPGDALDH1A1LMNA
SCHEMBL9836935 0.72 PARP1 (0.97) PARP1POLBKDM4EHPGDALDH1A1
SCHEMBL5534187 0.71 PARP1 (0.38) PARP1POLBKDM4EMAPTALDH1A1
SCHEMBL5522593 0.71 PARP1 (0.38) PARP1
SCHEMBL5526082 0.71 PARP1 (0.45) PARP1
SCHEMBL5526086 0.71 PARP1 (0.42) PARP1MEN1KMT2AHPGDPDE4A
SCHEMBL5517389 0.71 PARP1 (0.39) PARP1MEN1KMT2APDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885MEN1 2568/4885KMT2A 1983/4885
US-20070249597-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP3 PARP1 1/4885MEN1 2568/4885KMT2A 1983/4885

“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.