SCHEMBL2680928

SCHEMBL2680928

Cc1cc(N)n(CCN(C)C)n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
GLS O94925 1/20 0.39
CYP1A2 P05177 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTR7 P34969 2/20 0.36
HTR1A P08908 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GLA P06280 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 2/20 0.33

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
SCHEMBL18040219 0.83 NOS3 (0.34) POLBHTR7HTR1AKDM4E
SCHEMBL12102940 0.81 GLS (0.60) POLBGLSALDH1A1KDM4EGLA
SCHEMBL22505758 0.79 KDM4E (0.41) POLBHTR7HTR1AALDH1A1KDM4E
SCHEMBL691318 0.79 POLB (0.51) POLBL3MBTL1GLSCYP1A2MAPK1
SCHEMBL7113136 0.77 POLB (0.50) POLBL3MBTL1GLSCYP1A2MAPK1
SCHEMBL2338357 0.76 POLB (0.49) POLBL3MBTL1GLSCYP1A2MAPK1
SCHEMBL29200911 0.74 GLS (0.39) GLSHTR7HTR1AALDH1A1KDM4E
SCHEMBL11686733 0.74 POLB (0.47) POLBL3MBTL1GLSCYP1A2MAPK1
SCHEMBL6128069 0.74 POLB (0.47) POLBL3MBTL1GLSCYP1A2MAPK1
SCHEMBL11697399 0.74 L3MBTL1 (0.47) POLBL3MBTL1GLSCYP1A2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116332905-A (S) -N-phenyl-1- (pyridin-2-yl) pyrrolidine-2-carboxamide derivatives 上海翊石医药科技有限公司 2023-06-27 CN disclosed
CN-109641882-B Heteroaromatic derivatives as NIK inhibitors 杨森制药有限公司 2022-10-28 CN disclosed
CN-109641882-A Heteroaromatic derivatives as NIK inhibitors 杨森制药有限公司 2019-04-16 CN disclosed
EP-2468748-B1 Pyrazoloquinolones are potent parp inhibitors ABBVIE INC (US) 2016-05-25 EP disclosed
CN-101421268-B As the pyrazolo quinolone of effective PARP inhibitor ABBVIE (US) 2016-01-06 CN 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-8680139-B2 Anti-neoplastic compounds, compositions and methods PROGENRA (US) 2014-03-25 US 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-20120114765-A1 ANTI-NEOPLASTIC COMPOUNDS, COMPOSITIONS AND METHODS PROGENRA 2012-05-10 US disclosed
WO-2010114881-A1 ANTI-NEOPLASTIC COMPOUNDS, COMPOSITIONS AND METHODS PROGENRA INC. (US) 2010-10-07 WO disclosed
US-20100179123-A1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2010-07-15 US disclosed
US-7601725-B2 Thienopyrimidines useful as Aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-7601725-B2 Thienopyrimidines useful as Aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
CN-101421268-A Pyrazoloquinolones as potent PARP inhibitors ABBOTT LAB (US) 2009-04-29 CN 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
US-3966706-A 2,6-Dihydroxy-3-cyano-4-methylpyridine containing azo dyes which contain a functional amino group CIBA-GEIGY AG (CH) 1976-06-29 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 (4 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 POLB 43/4885L3MBTL1 3332/4885GLS 90/4885
US-20070249597-A1 PYRAZOLOQUINOLONES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP3 POLB 43/4885L3MBTL1 3332/4885GLS 90/4885
US-20100179123-A1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS AURKA, AURKB, AURKC POLB 1199/4885L3MBTL1 801/4885GLS 1980/4885
US-20120114765-A1 ANTI-NEOPLASTIC COMPOUNDS, COMPOSITIONS AND METHODS SERPINB1, TP53, CTSE POLB 1043/4885L3MBTL1 2229/4885GLS 280/4885

“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.