SCHEMBL9887563

SCHEMBL9887563

O=C(CCCC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1)NCc1ccc(-c2nncnn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 20/20 0.63
▸ PARP2 Q9UGN5 3/20 0.58
▸ TNKS O95271 1/20 0.58
▸ ADORA1 P30542 1/20 0.58
▸ CDK6 Q00534 1/20 0.58
▸ PDE3A Q14432 1/20 0.58
▸ PARP6 Q2NL67 1/20 0.58
▸ PARP15 Q460N3 1/20 0.58
▸ PARP14 Q460N5 1/20 0.58
▸ PARP10 Q53GL7 1/20 0.58
▸ TIPARP Q7Z3E1 1/20 0.58
▸ PARP8 Q8N3A8 1/20 0.58
▸ PARP16 Q8N5Y8 1/20 0.58
▸ PARP12 Q9H0J9 1/20 0.58
▸ TNKS2 Q9H2K2 1/20 0.58
▸ PARP11 Q9NR21 1/20 0.58
▸ PARP4 Q9UKK3 1/20 0.58
▸ PARP3 Q9Y6F1 1/20 0.58
▸ HDAC1 Q13547 2/20 0.58
▸ HDAC6 Q9UBN7 2/20 0.58

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
SCHEMBL22971687 0.92 PARP1 (0.66) PARP1PARP2TNKSADORA1CDK6
SCHEMBL9887621 0.85 PARP1 (0.71) PARP1PARP2TNKSADORA1CDK6
SCHEMBL18874527 0.84 PARP1 (0.71) PARP1PARP2TNKSADORA1CDK6
SCHEMBL9887628 0.83 PARP1 (0.77) PARP1PARP2TNKSADORA1CDK6
SCHEMBL24625002 0.82 PARP1 (0.69) PARP1PARP2TNKSADORA1CDK6
SCHEMBL29923429 0.82 PARP1 (0.69) PARP1PARP2TNKSADORA1CDK6
SCHEMBL29923028 0.82 PARP1 (0.69) PARP1PARP2TNKSADORA1CDK6
SCHEMBL22656867 0.82 PARP1 (0.75) PARP1PARP2TNKSADORA1CDK6
SCHEMBL29535734 0.82 PARP1 (0.75) PARP1PARP2TNKSADORA1CDK6
SCHEMBL29722673 0.82 PARP1 (0.77) PARP1PARP2TNKSADORA1CDK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10653805-B2 Compositions and methods for in vivo imaging THE GENERAL HOSPITAL CORPORATION (US) 2020-05-19 — — US disclosed
US-20190201562-A1 Compositions And Methods For In Vivo Imaging THE GENERAL HOSPITAL CORPORATION 2019-07-04 — — US disclosed
US-20180015186-A1 Compositions And Methods For In Vivo Imaging THE GENERAL HOSPITAL CORPORATION 2018-01-18 — — US disclosed
US-9649394-B2 Compositions and methods for in vivo imaging THE GENERAL HOSPITAL CORPORATION (US) 2017-05-16 — — US disclosed
WO-2012074840-A2 COMPOSITIONS AND METHODS FOR IN VIVO IMAGING THE GENERAL HOSPITAL CORPORATION (US) 2012-06-07 — — WO 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-20180015186-A1 Compositions And Methods For In Vivo Imaging PARP1, PARP11, PARP2 PARP1 1/4885PARP2 3/4885TNKS 23/4885
US-10653805-B2 Compositions and methods for in vivo imaging PARP1, PARP11, PARP2 PARP1 1/4885PARP2 3/4885TNKS 23/4885
US-20190201562-A1 Compositions And Methods For In Vivo Imaging PARP1, PARP11, PARP2 PARP1 1/4885PARP2 3/4885TNKS 23/4885

“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.

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