SCHEMBL29297495

SCHEMBL29297495

O=c1ccc2ncc(CN3CCNCC3)cc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 17/20 0.45
▸ PARP2 Q9UGN5 7/20 0.44
▸ PTPN11 Q06124 1/20 0.44
▸ TNKS O95271 1/20 0.42
▸ PARP6 Q2NL67 1/20 0.42
▸ PARP3 Q9Y6F1 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL27169477 0.80 PARP1 (0.65) PARP1PARP2TNKSPARP6PARP3
SCHEMBL29397527 0.80 PARP1 (0.65) PARP1PARP2TNKSPARP6PARP3
Hydrochloric Acid SCHEMBL30053682 0.79 PARP1 (0.64) PARP1PARP2TNKSPARP6PARP3
Hydrochloric Acid SCHEMBL31312822 0.79 PARP1 (0.64) PARP1PARP2TNKSPARP6PARP3
Hydrochloric Acid SCHEMBL27169435 0.79 PARP1 (0.64) PARP1PARP2TNKSPARP6PARP3
SCHEMBL30663278 0.78 PARP1 (0.65) PARP1PARP2
SCHEMBL28869893 0.74 MAPKAPK2 (0.39) PARP1
SCHEMBL30010831 0.74 PDE3B (0.44) PARP1
SCHEMBL30011367 0.74 MAPKAPK2 (0.39) PARP1
SCHEMBL28869879 0.74 PDE3B (0.44) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228490-A1 HETEROCYCLIC DERIVATIVE INHIBITOR AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2024-07-11 — — 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 (1 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-20240228490-A1 HETEROCYCLIC DERIVATIVE INHIBITOR AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF WEE1, CYP51A1, WEE2 PARP1 1119/4885PARP2 2032/4885PTPN11 1930/4885

“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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