SCHEMBL16432166

SCHEMBL16432166

O=C(c1ccc(F)cc1)C1CCN(C(=O)CCCc2nc3ccccc3c(=O)[nH]2)CC1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 19/20 0.69
TNKS O95271 15/20 0.69
PARP2 Q9UGN5 14/20 0.69
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
TNKS2 Q9H2K2 1/20 0.61

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
SCHEMBL16432069 0.93 PARP1 (0.70) PARP1TNKSPARP2TNKS2
SCHEMBL16432362 0.91 PARP1 (0.65) PARP1TNKSPARP2TNKS2
SCHEMBL16432436 0.91 PARP1 (0.59) PARP1TNKSPARP2MEN1KMT2A
SCHEMBL17880408 0.89 PARP1 (0.69) PARP1TNKSPARP2TNKS2
SCHEMBL16432435 0.89 TNKS (0.76) PARP1TNKSPARP2TNKS2
SCHEMBL16432595 0.88 TNKS (0.64) PARP1TNKSPARP2TNKS2
SCHEMBL16432177 0.88 PARP1 (0.54) PARP1TNKSPARP2TNKS2
SCHEMBL9009907 0.87 PARP1 (0.67) PARP1TNKSPARP2TNKS2
SCHEMBL16432150 0.86 TNKS (0.63) PARP1TNKSPARP2TNKS2
SCHEMBL16432040 0.85 TNKS (0.75) PARP1TNKSPARP2TNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9901577-B2 Oxoquinazolinyl-butanamide derivatives MERCK PATENT GMBH (DE) 2018-02-27 US claimed
EP-3027598-B1 OXOQUINAZOLINYL-BUTANAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2017-04-12 EP claimed
US-20160184310-A1 OXOQUINAZOLINYL-BUTANAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2016-06-30 US claimed
EP-3027598-A1 OXOQUINAZOLINYL-BUTANAMIDE DERIVATIVES Merck Patent GmbH (DE) 2016-06-08 EP claimed
WO-2015014442-A1 OXOQUINAZOLINYL-BUTANAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2015-02-05 WO claimed
US-9901577-B2 Oxoquinazolinyl-butanamide derivatives MERCK PATENT GMBH (DE) 2018-02-27 US disclosed
US-9901577-B2 Oxoquinazolinyl-butanamide derivatives MERCK PATENT GMBH (DE) 2018-02-27 US disclosed
US-9901577-B2 Oxoquinazolinyl-butanamide derivatives MERCK PATENT GMBH (DE) 2018-02-27 US disclosed
EP-3027598-B1 OXOQUINAZOLINYL-BUTANAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2017-04-12 EP disclosed
EP-3027598-B1 OXOQUINAZOLINYL-BUTANAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2017-04-12 EP disclosed
US-20160184310-A1 OXOQUINAZOLINYL-BUTANAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2016-06-30 US disclosed
US-20160184310-A1 OXOQUINAZOLINYL-BUTANAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2016-06-30 US disclosed
US-20160184310-A1 OXOQUINAZOLINYL-BUTANAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2016-06-30 US disclosed
EP-3027598-A1 OXOQUINAZOLINYL-BUTANAMIDE DERIVATIVES Merck Patent GmbH (DE) 2016-06-08 EP disclosed
WO-2015014442-A1 OXOQUINAZOLINYL-BUTANAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2015-02-05 WO disclosed
WO-2015014442-A1 OXOQUINAZOLINYL-BUTANAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2015-02-05 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-20160184310-A1 OXOQUINAZOLINYL-BUTANAMIDE DERIVATIVES TANK, IRAK3, TNKS PARP1 76/4885TNKS 3/4885PARP2 360/4885

“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.