SCHEMBL1036499

SCHEMBL1036499

N=C(N)c1ccccc1-c1ccccc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.53
WDR5 P61964 1/20 0.47
F9 P00740 1/20 0.44
PLAU P00749 7/20 0.43
PLAT P00750 6/20 0.43
F7 P08709 5/20 0.43
F2 P00734 4/20 0.43
F10 P00742 4/20 0.43
F12 P00748 1/20 0.43
F3 P13726 1/20 0.43
PKM P14618 1/20 0.43
PRSS1 P07477 7/20 0.42
PRSS2 P07478 7/20 0.42
PRSS3 P35030 7/20 0.42
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
BCL2L1 Q07817 1/20 0.41
BLM P54132 1/20 0.41
KLKB1 P03952 5/20 0.41

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
SCHEMBL32689453 0.91 BCAT2 (0.63) BCAT2WDR5F9PLAUPLAT
SCHEMBL1034554 0.91 BCAT2 (0.63) BCAT2WDR5F9PLAUPLAT
Ammonia Solution, Strong SCHEMBL29131061 0.89 BCAT2 (0.61) BCAT2WDR5F9PLAUPLAT
Hydrochloric Acid SCHEMBL27450056 0.89 BCAT2 (0.61) BCAT2WDR5F9PLAUPLAT
Hydrochloric Acid SCHEMBL31621742 0.89 BCAT2 (0.61) BCAT2WDR5F9PLAUPLAT
SCHEMBL752611 0.87 F2 (0.48) BCAT2WDR5F9PLAUPLAT
SCHEMBL7151686 0.85 BCAT2 (0.55) BCAT2WDR5F9PLAUPLAT
Hydrochloric Acid SCHEMBL6341904 0.84 BLM (0.50) BCAT2WDR5F9PLAUPLAT
SCHEMBL28513902 0.80 BCAT2 (0.50) BCAT2WDR5F9PLAUPLAT
SCHEMBL6832583 0.80 BCAT2 (0.50) BCAT2WDR5F9PLAUPLAT

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 6 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
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 (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 BCAT2 1374/4885WDR5 3357/4885F9 3592/4885
US-20090318444-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES CSNK1A1, MAP3K19, DMPK BCAT2 1577/4885WDR5 3372/4885F9 3680/4885

“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.