SCHEMBL22852674

SCHEMBL22852674

COC1CCCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 1.00
PRAP1 Q96NZ9 1/20 0.93
PARP3 Q9Y6F1 2/20 0.70
TNKS O95271 1/20 0.70
ADORA1 P30542 1/20 0.70
CDK6 Q00534 1/20 0.70
PDE3A Q14432 1/20 0.70
PARP6 Q2NL67 1/20 0.70
PARP15 Q460N3 1/20 0.70
PARP14 Q460N5 1/20 0.70
PARP10 Q53GL7 1/20 0.70
TIPARP Q7Z3E1 1/20 0.70
PARP8 Q8N3A8 1/20 0.70
PARP16 Q8N5Y8 1/20 0.70
PARP12 Q9H0J9 1/20 0.70
TNKS2 Q9H2K2 1/20 0.70
PARP11 Q9NR21 1/20 0.70
PARP2 Q9UGN5 1/20 0.70
PARP4 Q9UKK3 1/20 0.70

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
Azd2461 SCHEMBL77012 0.97 PARP1 (1.00) PARP1PRAP1PARP3TNKSADORA1
Azd2461 SCHEMBL29360368 0.97 PARP1 (1.00) PARP1PRAP1PARP3TNKSADORA1
Azd2461 SCHEMBL29361302 0.97 PARP1 (1.00) PARP1PRAP1PARP3TNKSADORA1
SCHEMBL22852672 0.92 PARP1 (1.00) PARP1PRAP1PARP3TNKSADORA1
SCHEMBL3665158 0.91 PARP1 (0.83) PARP1PRAP1PARP3TNKSADORA1
SCHEMBL77298 0.91 PARP1 (0.83) PARP1PRAP1PARP3TNKSADORA1
SCHEMBL22829788 0.90 PARP1 (0.81) PARP1PRAP1PARP3TNKSADORA1
SCHEMBL31311843 0.89 PARP1 (0.85) PARP1PRAP1PARP3TNKSADORA1
SCHEMBL76871 0.88 PARP1 (0.84) PARP1PRAP1PARP3TNKSADORA1
SCHEMBL87500 0.88 PARP1 (0.84) PARP1PRAP1PARP3TNKSADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542282-B2 Low affinity poly(AD-ribose) polymerase 1 dependent cytotoxic agents THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2023-01-03 US disclosed
US-20200407374-A1 LOW AFFINITY POLY(AD-RIBOSE) POLYMERASE 1 DEPENDENT CYTOTOXIC AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-12-31 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 (2 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-11542282-B2 Low affinity poly(AD-ribose) polymerase 1 dependent cytotoxic agents PARP1, PARP11, PARP2 PARP1 1/4885PRAP1 610/4885PARP3 6/4885
US-20200407374-A1 LOW AFFINITY POLY(AD-RIBOSE) POLYMERASE 1 DEPENDENT CYTOTOXIC AGENTS PARP1, PARP11, PARP2 PARP1 1/4885PRAP1 610/4885PARP3 6/4885

“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.