SCHEMBL666433

SCHEMBL666433

CCCN1CCC(c2nc3ccccc3[nH]2)C1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.60
HTR2B P41595 1/20 0.58
POLB P06746 2/20 0.56
PARP2 Q9UGN5 1/20 0.53
PKM P14618 1/20 0.52
CHRNA7 P36544 1/20 0.51
DRD2 P14416 2/20 0.50
SLC6A4 P31645 1/20 0.50
MPO P05164 1/20 0.49
MAPT P10636 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL9870915 0.92 HTR2B (0.56) PARP1HTR2BPOLBPKMCHRNA7
SCHEMBL738976 0.92 POLB (0.63) PARP1HTR2BPOLBPKMDRD2
SCHEMBL9869376 0.89 HTR2B (0.60) HTR2BPOLBPKMCHRNA7MPO
SCHEMBL14218700 0.85 HTR2B (0.65) HTR2BPOLBPKMCHRNA7MAPT
SCHEMBL662101 0.85 PARP1 (0.64) PARP1HTR2BCHRNA7DRD2
SCHEMBL30365989 0.83 PKM (0.56) PARP1HTR2BPOLBPKM
SCHEMBL9869744 0.83 PKM (0.56) PARP1HTR2BPOLBPKM
SCHEMBL664921 0.83 HTR2B (0.57) HTR2BPOLBPKMCHRNA7
SCHEMBL14218701 0.82 POLB (0.62) HTR2BPOLBPKM
SCHEMBL6883705 0.80 PKM (0.62) PARP1HTR2BPKM

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 17 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
US-5063228-A 4-(substitutedaminoethyl)-3,4-dihydro-2-alkylpyrimido[1,6-a]benzimidazol-1(2H)-ones as antiarrhythmic agents A. H. ROBBINS COMPANY, INCORPORATED (US) 1991-11-05 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 2/4885HTR2B 1566/4885POLB 59/4885
US-20160324829-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885HTR2B 1088/4885POLB 109/4885
US-20090029966-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885HTR2B 1088/4885POLB 109/4885
US-20150005354-A1 Combination Therapy With Parp Inhibitors PARP2, PARP1, PARP3 PARP1 2/4885HTR2B 1566/4885POLB 59/4885
US-20070265324-A1 Combination Therapy with Parp Inhibitors PARP2, PARP1, PARP3 PARP1 2/4885HTR2B 1566/4885POLB 59/4885
US-20130225647-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885HTR2B 1566/4885POLB 59/4885
US-20080146638-A1 primary small cell lung cancer with veliparib and temozolomide; poly/adp-ribose/polymerase (PARP) PARP1, PARP2, PARP3 PARP1 1/4885HTR2B 2034/4885POLB 54/4885
US-20110152336-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885HTR2B 1566/4885POLB 59/4885
US-20120045524-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885HTR2B 1566/4885POLB 59/4885
US-20060229289-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position are potent PARP inhibitors PARP1, PARP2, PARP4 PARP1 1/4885HTR2B 1212/4885POLB 60/4885
US-20080293795-A1 temozolomide and veliparib for breast cancer PARP1, PARP2, BRCA1 PARP1 1/4885HTR2B 684/4885POLB 139/4885
US-20080280867-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885HTR2B 1088/4885POLB 109/4885
US-20150005355-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885HTR2B 1088/4885POLB 109/4885
US-20120264795-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP1, PARP2, PARP12 PARP1 1/4885HTR2B 352/4885POLB 185/4885
US-20120190720-A1 Combination Therapy With Parp Inhibitors PARP2, PARP1, PARP3 PARP1 2/4885HTR2B 1566/4885POLB 59/4885

“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.