SCHEMBL665171

SCHEMBL665171

CN1CCCC1(C)c1nc2ccccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.58
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
EPHX2 P34913 1/20 0.43
HCRTR1 O43613 8/20 0.41
HCRTR2 O43614 8/20 0.41
HRH4 Q9H3N8 2/20 0.41
HTR3A P46098 1/20 0.41
HTT P42858 1/20 0.40
TRPC3 Q13507 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
SCHEMBL665994 0.83 PARP1 (0.58) PARP1BCHEACHEEPHX2HCRTR1
SCHEMBL665107 0.82 PARP1 (0.47) PARP1BCHEACHEHCRTR1HCRTR2
SCHEMBL665626 0.82 PARP1 (0.60) PARP1BCHEACHEHCRTR1HCRTR2
SCHEMBL19954967 0.79 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL664112 0.79 PARP1 (0.62) PARP1BCHEACHEEPHX2HRH4
SCHEMBL666514 0.76 PARP1 (0.59) PARP1BCHEACHEEPHX2HTR3A
SCHEMBL664848 0.76 PARP1 (0.54) PARP1BCHEACHEEPHX2HTR3A
SCHEMBL665264 0.76 PARP1 (0.52) PARP1BCHEACHEEPHX2HTT
SCHEMBL6753927 0.75 BCHE (0.46) PARP1BCHEACHEEPHX2HTT
SCHEMBL666058 0.75 PARP1 (0.51) PARP1BCHEACHEHTTTRPC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160324829-A1 COMBINATION THERAPY WITH PARP INHIBITORS ABBVIE INC. (US) 2016-11-10 US disclosed
US-20150005354-A1 Combination Therapy With Parp Inhibitors ABBVIE INC. 2015-01-01 US disclosed
US-20150005355-A1 COMBINATION THERAPY WITH PARP INHIBITORS ABBVIE INC. 2015-01-01 US disclosed
US-20130225647-A1 COMBINATION THERAPY WITH PARP INHIBITORS ABBVIE INC. (US) 2013-08-29 US disclosed
US-20120264795-A1 COMBINATION THERAPY WITH PARP INHIBITORS ABBVIE INC. 2012-10-18 US disclosed
US-20120190720-A1 Combination Therapy With Parp Inhibitors ABBOTT LABORATORIES (US) 2012-07-26 US disclosed
US-20120045524-A1 COMBINATION THERAPY WITH PARP INHIBITORS ABBOTT LABORATORIES (US) 2012-02-23 US disclosed
US-20110152336-A1 COMBINATION THERAPY WITH PARP INHIBITORS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-20110151023-A1 COMBINATION THERAPY WITH PARP INHIBITORS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-7550603-B2 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position are potent PARP inhibitors ABBOTT LABORATORIES INC. (US) 2009-06-23 US disclosed
US-20090029966-A1 COMBINATION THERAPY WITH PARP INHIBITORS ABBOTT LABORATORIES (US) 2009-01-29 US disclosed
US-20080293795-A1 temozolomide and veliparib for breast cancer ABBOTT LABORATORIES 2008-11-27 US disclosed
US-20080280867-A1 COMBINATION THERAPY WITH PARP INHIBITORS ABBOTT LABORATORIES (US) 2008-11-13 US disclosed
US-20080146638-A1 primary small cell lung cancer with veliparib and temozolomide; poly/adp-ribose/polymerase (PARP) ABBOTT LABORATORIES (US) 2008-06-19 US disclosed
US-20070265324-A1 Combination Therapy with Parp Inhibitors ABBOTT LABORATORIES 2007-11-15 US disclosed
US-20060229289-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position are potent PARP inhibitors ABBVIE INC. 2006-10-12 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 (15 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-20110151023-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885BCHE 4636/4885ACHE 4866/4885
US-20160324829-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885BCHE 4464/4885ACHE 4786/4885
US-20090029966-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885BCHE 4464/4885ACHE 4786/4885
US-20150005354-A1 Combination Therapy With Parp Inhibitors PARP2, PARP1, PARP3 PARP1 2/4885BCHE 4636/4885ACHE 4866/4885
US-20070265324-A1 Combination Therapy with Parp Inhibitors PARP2, PARP1, PARP3 PARP1 2/4885BCHE 4636/4885ACHE 4866/4885
US-20130225647-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885BCHE 4636/4885ACHE 4866/4885
US-20080146638-A1 primary small cell lung cancer with veliparib and temozolomide; poly/adp-ribose/polymerase (PARP) PARP1, PARP2, PARP3 PARP1 1/4885BCHE 4415/4885ACHE 4557/4885
US-20110152336-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885BCHE 4636/4885ACHE 4866/4885
US-20120045524-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885BCHE 4636/4885ACHE 4866/4885
US-20060229289-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position are potent PARP inhibitors PARP1, PARP2, PARP4 PARP1 1/4885BCHE 3801/4885ACHE 4516/4885
US-20080293795-A1 temozolomide and veliparib for breast cancer PARP1, PARP2, BRCA1 PARP1 1/4885BCHE 3231/4885ACHE 3518/4885
US-20080280867-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885BCHE 4464/4885ACHE 4786/4885
US-20150005355-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885BCHE 4464/4885ACHE 4786/4885
US-20120264795-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP1, PARP2, PARP12 PARP1 1/4885BCHE 3889/4885ACHE 4483/4885
US-20120190720-A1 Combination Therapy With Parp Inhibitors PARP2, PARP1, PARP3 PARP1 2/4885BCHE 4636/4885ACHE 4866/4885

“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.