SCHEMBL1031367

SCHEMBL1031367

O=c1[nH]c(N2CCOCC2)nc2c1CCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 1.00
▸ TSHR P16473 1/20 1.00
▸ HPGD P15428 1/20 0.75
▸ TNKS O95271 14/20 0.67
▸ TNKS2 Q9H2K2 14/20 0.67
▸ POLB P06746 1/20 0.64
▸ KMT2A Q03164 1/20 0.63
▸ PARP10 Q53GL7 2/20 0.55
▸ PARP2 Q9UGN5 2/20 0.55
▸ PARP1 P09874 1/20 0.55
▸ PARP4 Q9UKK3 1/20 0.55
▸ PARP3 Q9Y6F1 1/20 0.55
▸ DCTPP1 Q9H773 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL15173319 0.87 ALDH1A1 (0.76) ALDH1A1TSHRHPGDTNKSTNKS2
SCHEMBL12342910 0.86 HPGD (1.00) ALDH1A1TSHRHPGDTNKSTNKS2
SCHEMBL1035103 0.83 HPGD (0.77) ALDH1A1TSHRHPGDTNKSTNKS2
SCHEMBL1081986 0.82 HPGD (0.75) ALDH1A1TSHRHPGDTNKSTNKS2
SCHEMBL30298416 0.81 TSHR (0.68) ALDH1A1TSHRHPGDTNKSTNKS2
SCHEMBL15173439 0.78 HPGD (0.69) ALDH1A1TSHRHPGDTNKSTNKS2
SCHEMBL15173320 0.78 TNKS (0.77) ALDH1A1TSHRHPGDTNKSTNKS2
SCHEMBL15173071 0.78 TNKS (0.77) ALDH1A1TSHRHPGDTNKSTNKS2
SCHEMBL15173047 0.77 HPGD (0.68) ALDH1A1TSHRHPGDTNKSTNKS2
SCHEMBL20955312 0.77 HPGD (0.68) ALDH1A1TSHRHPGDTNKSTNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20090318444-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES MERCK PATENT GMBH (DE) 2009-12-24 — — US 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-8268845-B2 Tetrahydro- and dihydroquinazolinones MERCK PATENT GMBH (DE) 2012-09-18 — — US disclosed
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
US-20110195965-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES FINSINGER DIRK 2011-08-11 — — 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
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
US-20090318444-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES MERCK PATENT GMBH (DE) 2009-12-24 — — US 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
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 (2 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-20110195965-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES CSNK1A1, MAP3K19, CSNK1E ALDH1A1 1936/4885TSHR 4253/4885HPGD 217/4885
US-20090318444-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES CSNK1A1, MAP3K19, DMPK ALDH1A1 2043/4885TSHR 4328/4885HPGD 259/4885

“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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