SCHEMBL665135

SCHEMBL665135

CC1(c2nc3ccccc3[nH]2)CCNC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.56
PARP2 Q9UGN5 2/20 0.56
HTR3A P46098 1/20 0.41
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ABCB11 O95342 1/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP2D6 P10635 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
DDAH1 O94760 1/20 0.39
MASP2 O00187 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL1299519 0.91 PARP1 (0.54) PARP1PARP2HTR3AALDH1A1RAB9A
SCHEMBL6755331 0.84 ALDH1A1 (0.48) PARP1PARP2ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6753927 0.81 BCHE (0.46) PARP1PARP2ALDH1A1RAB9ASMN1; SMN2
SCHEMBL3489011 0.75 HTR3A (0.46) PARP1PARP2HTR3AALDH1A1RAB9A
SCHEMBL3489392 0.75 HTR3A (0.43) PARP1PARP2HTR3AALDH1A1RAB9A
SCHEMBL663872 0.73 PARP1 (0.56) PARP1PARP2ALDH1A1RAB9ASMN1; SMN2
SCHEMBL663755 0.73 PARP1 (0.56) PARP1PARP2ALDH1A1RAB9ASMN1; SMN2
SCHEMBL665634 0.73 PARP1 (0.56) PARP1PARP2ALDH1A1RAB9ASMN1; SMN2
SCHEMBL2309386 0.73 OPRM1 (0.56) HTR3AALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL665968 0.72 PARP1 (0.59) PARP1HTR3ARAB9ASMN1; SMN2TP53

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 2/4885PARP2 1/4885HTR3A 1668/4885
US-20160324829-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885PARP2 1/4885HTR3A 1138/4885
US-20090029966-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885PARP2 1/4885HTR3A 1138/4885
US-20150005354-A1 Combination Therapy With Parp Inhibitors PARP2, PARP1, PARP3 PARP1 2/4885PARP2 1/4885HTR3A 1668/4885
US-20070265324-A1 Combination Therapy with Parp Inhibitors PARP2, PARP1, PARP3 PARP1 2/4885PARP2 1/4885HTR3A 1668/4885
US-20130225647-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885PARP2 1/4885HTR3A 1668/4885
US-20080146638-A1 primary small cell lung cancer with veliparib and temozolomide; poly/adp-ribose/polymerase (PARP) PARP1, PARP2, PARP3 PARP1 1/4885PARP2 2/4885HTR3A 2712/4885
US-20110152336-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885PARP2 1/4885HTR3A 1668/4885
US-20120045524-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885PARP2 1/4885HTR3A 1668/4885
US-20060229289-A1 1H-benzimidazole-4-carboxamides substituted with a quaternary carbon at the 2-position are potent PARP inhibitors PARP1, PARP2, PARP4 PARP1 1/4885PARP2 2/4885HTR3A 1432/4885
US-20080293795-A1 temozolomide and veliparib for breast cancer PARP1, PARP2, BRCA1 PARP1 1/4885PARP2 2/4885HTR3A 1744/4885
US-20080280867-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885PARP2 1/4885HTR3A 1138/4885
US-20150005355-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885PARP2 1/4885HTR3A 1138/4885
US-20120264795-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP1, PARP2, PARP12 PARP1 1/4885PARP2 2/4885HTR3A 577/4885
US-20120190720-A1 Combination Therapy With Parp Inhibitors PARP2, PARP1, PARP3 PARP1 2/4885PARP2 1/4885HTR3A 1668/4885

“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.