SCHEMBL5525103

SCHEMBL5525103

CC(C)c1nn(C)c2[nH]c(=O)c3c(c12)CCCC3

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 11/20 0.67
NPSR1 Q6W5P4 1/20 0.38
PPARG P37231 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NR2E3 Q9Y5X4 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
HPGD P15428 3/20 0.36
LMNA P02545 2/20 0.36
USP2 O75604 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALOX15 P16050 1/20 0.35
GAA P10253 2/20 0.35
PTK2B Q14289 2/20 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
SCHEMBL4761629 0.80 PARP1 (1.00) PARP1HPGDLMNAALDH1A1KDM4E
SCHEMBL9836935 0.79 PARP1 (0.97) PARP1HPGDLMNAALDH1A1KDM4E
SCHEMBL5522439 0.77 PARP1 (1.00) PARP1HPGDALDH1A1KDM4EMAPT
SCHEMBL5532024 0.75 PARP1 (0.65) PARP1HPGDSMN1; SMN2ALOX15
SCHEMBL5523619 0.75 PARP1 (0.56) PARP1ALDH1A1GAA
SCHEMBL5520379 0.75 PARP1 (0.56) PARP1
SCHEMBL4724551 0.74 PARP1 (0.63) PARP1HPGDSMN1; SMN2ALOX15
SCHEMBL5520388 0.74 PARP1 (0.55) PARP1HPGDALDH1A1KDM4E
SCHEMBL5534195 0.73 PARP1 (0.62) PARP1HPGDALDH1A1KMT2AKDM4E
SCHEMBL5522637 0.73 PARP1 (0.62) PARP1SMN1; SMN2ALOX15

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 11 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-2578587-B1 PYRAZOLE DERIVATIVES HANDE STARLAKE BIOSCIENCE CO LTD (CN) 2016-09-07 EP disclosed
EP-2468748-B1 Pyrazoloquinolones are potent parp inhibitors ABBVIE INC (US) 2016-05-25 EP disclosed
US-9249172-B2 Pyrazole derivatives HANDE PHARMA LIMITED (CN) 2016-02-02 US 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
US-20130142757-A1 PYRAZOLE DERIVATIVES HANDE STARLAKE BIOSCIENCE CO., LTD. (CN) 2013-06-06 US disclosed
EP-2578587-A1 PYRAZOLE DERIVATIVES Hande Starlake Bioscience Co., Ltd. (CN) 2013-04-10 EP 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 (3 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 1/4885NPSR1 4449/4885PPARG 1505/4885
US-20070249597-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP3 PARP1 1/4885NPSR1 4449/4885PPARG 1505/4885
US-20130142757-A1 PYRAZOLE DERIVATIVES CBR3, CBR1, CYP2E1 PARP1 791/4885NPSR1 787/4885PPARG 228/4885

“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.