SCHEMBL16699512

SCHEMBL16699512

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 6/20 0.49
KDM4E B2RXH2 4/20 0.43
KMT2A Q03164 3/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
RNASEH1 O60930 1/20 0.40
ERCC1 P07992 1/20 0.40
FEN1 P39748 1/20 0.40
ERCC4 Q92889 1/20 0.40
RORC P51449 1/20 0.40
MTHFD2 P13995 1/20 0.40
ADORA2A P29274 2/20 0.40
ADORA2B P29275 2/20 0.40
ADORA1 P30542 1/20 0.40
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
GRIK1 P39086 1/20 0.39

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
SCHEMBL15527819 0.85 SPR (0.46) SPRKMT2AALDH1A1HPGDRNASEH1
SCHEMBL15527577 0.84 TNKS (0.53) SPRKDM4EALDH1A1HPGDERCC1
SCHEMBL15527713 0.81 TNKS (0.46) SPRADORA1
SCHEMBL15527580 0.81 TNKS2 (0.46) SPR
SCHEMBL15527466 0.78 TNKS (0.62)
SCHEMBL15527718 0.78 TNKS (0.49) SPRKDM4EKMT2AALDH1A1
SCHEMBL15527656 0.76 TNKS (0.46) SPR
SCHEMBL15527794 0.76 AURKA (0.42) SPRKDM4EKMT2AALDH1A1HPGD
SCHEMBL15527440 0.76 SPR (0.41) SPR
SCHEMBL15528007 0.76 TNKS (0.46) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 SPR 2112/4885KDM4E 706/4885KMT2A 1679/4885

“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.