SCHEMBL4621132

SCHEMBL4621132

CC(C)C(CN(CCN)CCc1ccccc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.55
CYP3A4 P08684 2/20 0.55
MAP1LC3B Q9GZQ8 1/20 0.55
CYP2C19 P33261 1/20 0.55
KCNH2 Q12809 1/20 0.55
EGFR P00533 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
ALOX5AP P20292 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PDE6D O43924 1/20 0.37

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
SCHEMBL4620774 0.95 KIF11 (0.60) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL14078149 0.95 KIF11 (0.55) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL4621047 0.92 KIF11 (0.56) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL4620830 0.87 KIF11 (0.60) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL4620734 0.84 KIF11 (0.57) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL4620255 0.84 KIF11 (0.59) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL14096371 0.81 KIF11 (0.49) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL4620637 0.81 KIF11 (0.64) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL4619541 0.80 KIF11 (0.44) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2
SCHEMBL4621187 0.80 KIF11 (0.56) KIF11CYP3A4MAP1LC3BCYP2C19KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234299-A1 Quinazolinones MERCK PATENT GMBH (DE) 2008-09-25 US claimed
EP-1885702-A2 QUINAZOLINONES Merck Patent GmbH (DE) 2008-02-13 EP claimed
WO-2006125555-A2 QUINAZOLINONES MERCK PATENT GMBH (DE) 2006-11-30 WO claimed
US-20080234299-A1 Quinazolinones MERCK PATENT GMBH (DE) 2008-09-25 US disclosed
US-20080234299-A1 Quinazolinones MERCK PATENT GMBH (DE) 2008-09-25 US disclosed
US-20080234299-A1 Quinazolinones MERCK PATENT GMBH (DE) 2008-09-25 US disclosed
EP-1885702-A2 QUINAZOLINONES Merck Patent GmbH (DE) 2008-02-13 EP disclosed
WO-2006125555-A2 QUINAZOLINONES MERCK PATENT GMBH (DE) 2006-11-30 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 (1 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-20080234299-A1 Quinazolinones H1-3, NDUFS3, CCNT1 KIF11 2324/4885CYP3A4 755/4885MAP1LC3B 2831/4885

“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.