SCHEMBL1035103

SCHEMBL1035103

O=c1[nH]c(N2CCNCC2)nc2c1CCCC2

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.77
▸ ALDH1A1 P00352 1/20 0.71
▸ TSHR P16473 1/20 0.71
▸ POLB P06746 1/20 0.66
▸ TNKS O95271 15/20 0.64
▸ TNKS2 Q9H2K2 15/20 0.64
▸ KMT2A Q03164 1/20 0.60
▸ PARP10 Q53GL7 2/20 0.56
▸ PARP2 Q9UGN5 2/20 0.56
▸ PARP1 P09874 1/20 0.56
▸ PARP4 Q9UKK3 1/20 0.56
▸ PARP3 Q9Y6F1 1/20 0.56
▸ DCTPP1 Q9H773 1/20 0.54

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
SCHEMBL12342910 0.87 HPGD (1.00) HPGDALDH1A1TSHRPOLBTNKS
SCHEMBL1031367 0.83 ALDH1A1 (1.00) HPGDALDH1A1TSHRPOLBTNKS
SCHEMBL1081986 0.83 HPGD (0.75) HPGDALDH1A1TSHRPOLBTNKS
SCHEMBL15173439 0.80 HPGD (0.69) HPGDALDH1A1TSHRPOLBTNKS
SCHEMBL15173139 0.79 HPGD (0.56) HPGDALDH1A1TSHRPOLBTNKS
SCHEMBL15173047 0.79 HPGD (0.68) HPGDALDH1A1TSHRPOLBTNKS
SCHEMBL20955312 0.79 HPGD (0.68) HPGDALDH1A1TSHRPOLBTNKS
SCHEMBL15173184 0.77 POLB (0.72) HPGDALDH1A1TSHRPOLBTNKS
SCHEMBL15188523 0.77 HPGD (0.66) HPGDALDH1A1TSHRPOLBTNKS
SCHEMBL15173387 0.77 HPGD (0.74) HPGDALDH1A1TSHRPOLBTNKS

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
US-9339503-B2 Tetrahydro-quinazolinone derivatives as TANK and PARP inhibitors MERCK PATENT GMBH (DE) 2016-05-17 — — US claimed
US-20150025071-A1 TETRAHYDRO-QUINAZOLINONE DERIVATIVES AS TANK AND PARP INHIBITORS MERCK PATENT GMBH (DE) 2015-01-22 — — US claimed
US-20110195965-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES FINSINGER DIRK 2011-08-11 — — US claimed
EP-1856061-B1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES MERCK PATENT GMBH (DE) 2011-01-26 — — EP claimed
EP-1856061-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES Merck Patent GmbH (DE) 2007-11-21 — — EP claimed
WO-2006094604-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES MERCK PATENT GMBH (DE) 2006-09-14 — — WO claimed
US-8268845-B2 Tetrahydro- and dihydroquinazolinones MERCK PATENT GMBH (DE) 2012-09-18 — — US disclosed
US-20110195965-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES FINSINGER DIRK 2011-08-11 — — US disclosed
EP-1856061-B1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES MERCK PATENT GMBH (DE) 2011-01-26 — — EP disclosed
US-20090318444-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES MERCK PATENT GMBH (DE) 2009-12-24 — — US disclosed
EP-1856061-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES Merck Patent GmbH (DE) 2007-11-21 — — EP disclosed
WO-2006094604-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES MERCK PATENT GMBH (DE) 2006-09-14 — — 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 (3 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-20150025071-A1 TETRAHYDRO-QUINAZOLINONE DERIVATIVES AS TANK AND PARP INHIBITORS TNKS, PARP1, PARP11 HPGD 533/4885ALDH1A1 1134/4885TSHR 4086/4885
US-20110195965-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES CSNK1A1, MAP3K19, CSNK1E HPGD 217/4885ALDH1A1 1936/4885TSHR 4253/4885
US-20090318444-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES CSNK1A1, MAP3K19, DMPK HPGD 259/4885ALDH1A1 2043/4885TSHR 4328/4885

“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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