SCHEMBL17252127

SCHEMBL17252127

COc1ccc(C(=O)C2CCN(C(=O)CCCc3nc4c(c(=O)[nH]3)CCCC4)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 20/20 0.65
▸ TNKS2 Q9H2K2 20/20 0.65
▸ PARP1 P09874 14/20 0.65
▸ PARP2 Q9UGN5 8/20 0.65

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
SCHEMBL17241097 0.89 TNKS (0.67) TNKSTNKS2PARP1PARP2
SCHEMBL17241246 0.84 TNKS (0.63) TNKSTNKS2PARP1PARP2
SCHEMBL17241107 0.84 TNKS (0.56) TNKSTNKS2PARP1
SCHEMBL16432435 0.82 TNKS (0.76) TNKSTNKS2PARP1PARP2
SCHEMBL17251950 0.81 TNKS (0.65) TNKSTNKS2PARP1PARP2
SCHEMBL17251982 0.81 TNKS (0.70) TNKSTNKS2PARP1PARP2
SCHEMBL17240965 0.80 TNKS (0.66) TNKSTNKS2PARP1PARP2
SCHEMBL16432467 0.80 TNKS (0.68) TNKSTNKS2PARP1PARP2
SCHEMBL17241056 0.80 TNKS (0.70) TNKSTNKS2PARP1PARP2
SCHEMBL17241025 0.79 TNKS (0.81) TNKSTNKS2PARP1PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3140295-B1 HETEROCYCLYL-BUTANAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2018-09-12 — — EP claimed
US-9809598-B2 Heterocyclyl-butanamide derivatives MERCK PATENT GMBH (DE) 2017-11-07 — — US claimed
US-20170073347-A1 HETEROCYCLYL-BUTANAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2017-03-16 — — US claimed
CN-106458988-B Heterocycle-butanamide derivatives 默克专利股份公司 2019-12-03 — — CN disclosed
EP-3140295-B1 HETEROCYCLYL-BUTANAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2018-09-12 — — EP disclosed
US-9809598-B2 Heterocyclyl-butanamide derivatives MERCK PATENT GMBH (DE) 2017-11-07 — — US disclosed
US-9809598-B2 Heterocyclyl-butanamide derivatives MERCK PATENT GMBH (DE) 2017-11-07 — — US disclosed
US-9809598-B2 Heterocyclyl-butanamide derivatives MERCK PATENT GMBH (DE) 2017-11-07 — — US disclosed
US-20170073347-A1 HETEROCYCLYL-BUTANAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2017-03-16 — — US disclosed
US-20170073347-A1 HETEROCYCLYL-BUTANAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2017-03-16 — — US disclosed
US-20170073347-A1 HETEROCYCLYL-BUTANAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2017-03-16 — — US disclosed
WO-2015169421-A1 HETEROCYCLYL-BUTANAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2015-11-12 — — 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 (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-20170073347-A1 HETEROCYCLYL-BUTANAMIDE DERIVATIVES TNKS, TANK, TBKBP1 TNKS 1/4885TNKS2 9/4885PARP1 49/4885

“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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