SCHEMBL1035672

SCHEMBL1035672

CC1CCc2nc(-c3ccccc3)n(S(=O)(=O)c3ccccc3)c(=O)c2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PARP1 P09874 1/20 0.39
ACHE P22303 2/20 0.37
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
HTR6 P50406 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 2/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL1036501 0.86 PDE5A (0.37) ALDH1A1HTR6MEN1KMT2A
SCHEMBL1032349 0.81 KDM4E (0.48) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL1036372 0.76 ALDH1A1 (0.45) ALDH1A1KDM4ENPSR1PARP1ACHE
SCHEMBL1034950 0.74 SMN1; SMN2 (0.46) ALDH1A1KDM4ECYP1A2CYP2C19HTR6
SCHEMBL1035636 0.67 PARP1 (0.53) ALDH1A1KDM4EPARP1TNKSTNKS2
SCHEMBL1035014 0.67 KDM4E (0.40) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL1031317 0.67 KDM4E (0.40) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL1034672 0.65 KDM4E (0.42) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL1036352 0.64 HTR6 (0.46) ALDH1A1KDM4EHTR6LMNAGAA
SCHEMBL27013381 0.64 KDM4E (0.50) ALDH1A1KDM4ECYP1A2CYP2C19PARP1

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 10 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 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
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-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 ALDH1A1 1936/4885KDM4E 1799/4885CYP1A2 639/4885
US-20090318444-A1 TETRAHYDRO- AND DIHYDROQUINAZOLINONES CSNK1A1, MAP3K19, DMPK ALDH1A1 2043/4885KDM4E 1861/4885CYP1A2 694/4885

“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.