SCHEMBL15527637

SCHEMBL15527637

COC(=O)c1ccc(-c2nn3cc(F)cc3c(=O)[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.47
MAPK14 Q16539 3/20 0.43
MAPK13 O15264 1/20 0.43
ALOX5 P09917 1/20 0.43
GCGR P47871 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
WNT3A P56704 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
MAP2K4 P45985 1/20 0.42
RHEB Q15382 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 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
SCHEMBL15604819 0.87 TNKS (0.48) TNKSMAPK14KDM4EALDH1A1WNT3A
SCHEMBL15527577 0.80 TNKS (0.53) TNKSKDM4EALDH1A1WNT3ATNKS2
SCHEMBL15527859 0.79 AHR (0.43) TNKSWNT3ATNKS2PARP1SPR
SCHEMBL23361516 0.78 POLB (0.43) TNKSMAPK14KDM4EALDH1A1WNT3A
SCHEMBL16707618 0.78 TNKS (0.51) TNKSTNKS2PARP1SPR
SCHEMBL16611551 0.78 ALKBH5 (0.44) TNKSTNKS2SMN1; SMN2PARP1ERCC1
SCHEMBL23361611 0.76 TNKS (0.38) TNKSMAPK14KDM4EALDH1A1WNT3A
SCHEMBL15527455 0.76 TNKS (0.63) TNKSMAPK14KDM4EALDH1A1WNT3A
SCHEMBL15287270 0.76 TNKS (0.63) TNKSMAPK14KDM4EALDH1A1TNKS2
SCHEMBL16520564 0.75 TNKS (0.64) TNKSKDM4EALDH1A1TNKS2RHEB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885MAPK14 1319/4885MAPK13 2443/4885

“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.