SCHEMBL15527656

SCHEMBL15527656

CC(C)(N)c1ccc(-c2nn3cccc3c(=O)[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TNKS O95271 12/20 0.46
TNKS2 Q9H2K2 12/20 0.46
PARP1 P09874 6/20 0.46
SPR P35270 7/20 0.38
WNT3A P56704 1/20 0.36
PARP2 Q9UGN5 1/20 0.36

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
Formic Acid SCHEMBL15527835 0.94 TNKS (0.45) TNKSTNKS2PARP1SPR
SCHEMBL15527718 0.89 TNKS (0.49) TNKSTNKS2PARP1SPR
SCHEMBL15527466 0.87 TNKS (0.62) TNKSTNKS2PARP1PARP2
SCHEMBL15527713 0.82 TNKS (0.46) TNKSTNKS2PARP1SPR
SCHEMBL15528007 0.81 TNKS (0.46) TNKSTNKS2PARP1SPR
SCHEMBL15527797 0.81 TNKS (0.41) TNKSTNKS2PARP1SPR
SCHEMBL15527819 0.80 SPR (0.46) TNKSTNKS2PARP1SPR
SCHEMBL15527580 0.79 TNKS2 (0.46) TNKSTNKS2PARP1SPRWNT3A
SCHEMBL15527773 0.79 TNKS (0.52) TNKSTNKS2PARP1SPR
SCHEMBL16699512 0.76 SPR (0.49) SPR

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
EP-2844659-B1 PYRROLOTRIAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2016-05-25 EP claimed
US-9174995-B2 Pyrrolotriazinone derivatives MERCK PATENT GMBH (DE) 2015-11-03 US claimed
US-20150133453-A1 PYRROLOTRIAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2015-05-14 US claimed
EP-2844659-A1 PYRROLOTRIAZINONE DERIVATIVES Merck Patent GmbH (DE) 2015-03-11 EP claimed
WO-2013164061-A1 PYRROLOTRIAZINONE DERIVATIVES dedeMERCK PATENT GMBH (DE) 2013-11-07 WO claimed
EP-2844659-B1 PYRROLOTRIAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2016-05-25 EP disclosed
EP-2844659-B1 PYRROLOTRIAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2016-05-25 EP disclosed
US-9174995-B2 Pyrrolotriazinone derivatives MERCK PATENT GMBH (DE) 2015-11-03 US disclosed
US-9174995-B2 Pyrrolotriazinone derivatives MERCK PATENT GMBH (DE) 2015-11-03 US disclosed
US-9174995-B2 Pyrrolotriazinone derivatives MERCK PATENT GMBH (DE) 2015-11-03 US disclosed
US-20150133453-A1 PYRROLOTRIAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2015-05-14 US disclosed
US-20150133453-A1 PYRROLOTRIAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2015-05-14 US disclosed
US-20150133453-A1 PYRROLOTRIAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2015-05-14 US disclosed
EP-2844659-A1 PYRROLOTRIAZINONE DERIVATIVES Merck Patent GmbH (DE) 2015-03-11 EP disclosed
WO-2013164061-A1 PYRROLOTRIAZINONE DERIVATIVES dedeMERCK PATENT GMBH (DE) 2013-11-07 WO disclosed
WO-2013164061-A1 PYRROLOTRIAZINONE DERIVATIVES dedeMERCK PATENT GMBH (DE) 2013-11-07 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 (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-20150133453-A1 PYRROLOTRIAZINONE DERIVATIVES TNKS, TBKBP1, TNKS1BP1 TNKS 1/4885TNKS2 8/4885PARP1 45/4885

“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.