SCHEMBL663755

SCHEMBL663755

CC1(c2nc3ccccc3[nH]2)CCCN1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.56
PARP2 Q9UGN5 4/20 0.56
TNKS O95271 1/20 0.56
PARP14 Q460N5 1/20 0.56
PARP10 Q53GL7 1/20 0.56
PARP12 Q9H0J9 1/20 0.56
TNKS2 Q9H2K2 1/20 0.56
PARP4 Q9UKK3 1/20 0.56
PARP3 Q9Y6F1 1/20 0.56
CDC7 O00311 2/20 0.41
CCNE1 P24864 2/20 0.41
CDK2 P24941 2/20 0.41
ROCK1 Q13464 2/20 0.41
DBF4 Q9UBU7 2/20 0.41
ALDH1A1 P00352 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

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
SCHEMBL665634 1.00 PARP1 (0.56) PARP1PARP2TNKSPARP14PARP10
SCHEMBL663872 1.00 PARP1 (0.56) PARP1PARP2TNKSPARP14PARP10
SCHEMBL664237 0.95 PARP1 (0.57) PARP1PARP2TNKSPARP14PARP10
SCHEMBL16809204 0.78 PARP1 (0.50) PARP1PARP2TNKSPARP14PARP10
SCHEMBL6753927 0.78 BCHE (0.46) PARP1PARP2ALDH1A1KDM4ENPC1
Hydrochloric Acid SCHEMBL16778562 0.77 PARP1 (0.51) PARP1PARP2TNKSPARP14PARP10
Hydrochloric Acid SCHEMBL16778564 0.77 PARP1 (0.51) PARP1PARP2TNKSPARP14PARP10
SCHEMBL6755331 0.77 ALDH1A1 (0.48) PARP1PARP2ALDH1A1KDM4ENPC1
Veliparib SCHEMBL16758574 0.77 PARP1 (0.81) PARP1PARP2TNKSPARP14PARP10
SCHEMBL19236099 0.75 PARP1 (0.65) PARP1PARP2TNKSPARP14PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106432195-A Method for preparing (R)-2-(2-methylpyrrolidine-2-yl)-1H-benzimidazole-4-carboxamide 杭州民生药业有限公司 2017-02-22 CN 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

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-20110151023-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885PARP2 1/4885TNKS 38/4885
US-20110152336-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885PARP2 1/4885TNKS 38/4885
US-20120045524-A1 COMBINATION THERAPY WITH PARP INHIBITORS PARP2, PARP1, PARP3 PARP1 2/4885PARP2 1/4885TNKS 38/4885

“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.