SCHEMBL4724958

SCHEMBL4724958

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

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 14/20 0.63
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
HIF1A Q16665 1/20 0.34
RAD52 P43351 1/20 0.34
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
DAO P14920 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL4761629 0.78 PARP1 (1.00) PARP1HIF1AKDM4EALDH1A1
SCHEMBL9836935 0.76 PARP1 (0.97) PARP1HIF1AKDM4EALDH1A1
SCHEMBL5532476 0.76 PARP1 (0.43) PARP1RAD52
SCHEMBL5533986 0.75 PARP1 (0.65) PARP1KDM4EALDH1A1
SCHEMBL5522439 0.75 PARP1 (1.00) PARP1KDM4EALDH1A1
SCHEMBL5532481 0.74 PARP1 (0.41) PARP1RAD52
SCHEMBL5520358 0.72 PARP1 (0.40) PARP1RAD52
SCHEMBL5522637 0.71 PARP1 (0.62) PARP1
SCHEMBL5520184 0.69 PARP1 (0.36) PARP1RAD52
SCHEMBL5525419 0.68 PARP1 (1.00) PARP1KDM4EALDH1A1

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 9 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
EP-1989204-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS Abbott Laboratories (US) 2008-11-12 EP disclosed
US-20070249597-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS ABBVIE INC. 2007-10-25 US disclosed
WO-2007095628-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2007-08-23 WO 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 1/4885CRHBP 4245/4885CRHR2 4628/4885
US-20070249597-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP3 PARP1 1/4885CRHBP 4245/4885CRHR2 4628/4885

“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.