SCHEMBL1081986

SCHEMBL1081986

CN1CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1

nearest known ligand 0.94

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.75
▸ POLB P06746 1/20 0.72
▸ ALDH1A1 P00352 2/20 0.69
▸ TSHR P16473 1/20 0.69
▸ TNKS O95271 11/20 0.67
▸ TNKS2 Q9H2K2 11/20 0.67
▸ KMT2A Q03164 1/20 0.63
▸ PARP10 Q53GL7 2/20 0.60
▸ PARP2 Q9UGN5 2/20 0.60
▸ DCTPP1 Q9H773 2/20 0.59
▸ PARP1 P09874 1/20 0.58
▸ PARP4 Q9UKK3 1/20 0.58
▸ PARP3 Q9Y6F1 1/20 0.58
▸ SPR P35270 1/20 0.52

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 0.86 HPGD (1.00) HPGDPOLBALDH1A1TSHRTNKS
SCHEMBL15173439 0.84 HPGD (0.69) HPGDPOLBALDH1A1TSHRTNKS
SCHEMBL1035103 0.83 HPGD (0.77) HPGDPOLBALDH1A1TSHRTNKS
SCHEMBL15173047 0.83 HPGD (0.68) HPGDPOLBALDH1A1TSHRTNKS
SCHEMBL15173184 0.82 POLB (0.72) HPGDPOLBALDH1A1TSHRTNKS
SCHEMBL1031367 0.82 ALDH1A1 (1.00) HPGDPOLBALDH1A1TSHRTNKS
SCHEMBL15173196 0.80 HPGD (0.63) HPGDPOLBALDH1A1TSHRTNKS
SCHEMBL18058753 0.79 TNKS (0.65) TNKSTNKS2PARP1
SCHEMBL15173387 0.79 HPGD (0.74) HPGDPOLBALDH1A1TSHRTNKS
SCHEMBL15173320 0.78 TNKS (0.77) HPGDPOLBALDH1A1TSHRTNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 HPGD 217/4885POLB 2269/4885ALDH1A1 1936/4885
US-20090318444-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES CSNK1A1, MAP3K19, DMPK HPGD 259/4885POLB 2214/4885ALDH1A1 2043/4885

“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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