SCHEMBL5622754

SCHEMBL5622754

COC(=O)c1cc2ccc(OC)cc2n1CC#N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.61
MTNR1B P49286 7/20 0.61
L3MBTL1 Q9Y468 1/20 0.52
CCR9 P51686 1/20 0.46
CCR2 P41597 1/20 0.46
PTGS2 P35354 1/20 0.45
KDM2B Q8NHM5 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
DYRK1A Q13627 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAOA P21397 1/20 0.43
DYRK3 O43781 1/20 0.42
CLK1 P49759 1/20 0.42
CLK2 P49760 1/20 0.42
CLK3 P49761 1/20 0.42
GSK3B P49841 1/20 0.42
DYRK2 Q92630 1/20 0.42

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
SCHEMBL2242465 0.89 MTNR1A (0.52) MTNR1AMTNR1BL3MBTL1CCR9CCR2
SCHEMBL29262518 0.85 F10 (0.44) MTNR1AMTNR1BL3MBTL1CCR2KDM4E
SCHEMBL5917423 0.85 PTGS2 (0.46) MTNR1AMTNR1BL3MBTL1CCR9CCR2
SCHEMBL19252931 0.85 PTGS2 (0.45) MTNR1AMTNR1BL3MBTL1CCR9PTGS2
SCHEMBL7837255 0.83 MTNR1A (0.58) MTNR1AMTNR1BCCR2KDM4EALDH1A1
SCHEMBL3954003 0.81 L3MBTL1 (0.49) MTNR1AMTNR1BL3MBTL1CCR2PTGS2
SCHEMBL3817923 0.81 KDM4E (0.60) L3MBTL1CCR9CCR2KDM4EALDH1A1
SCHEMBL5622006 0.80 L3MBTL1 (0.56) MTNR1AMTNR1BL3MBTL1CCR9CCR2
SCHEMBL4705529 0.80 MTNR1A (0.43) MTNR1AMTNR1BCCR9CCR2KDM2B
SCHEMBL6440148 0.79 MAPT (0.53) MTNR1AMTNR1BCCR9CCR2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343981-B2 Heterocyclyl-substituted dihydroquinazolines and their use as antiviral agents AICURIS GMBH & CO. KG (DE) 2013-01-01 US disclosed
US-8343981-B2 Heterocyclyl-substituted dihydroquinazolines and their use as antiviral agents AICURIS GMBH & CO. KG (DE) 2013-01-01 US disclosed
US-8343981-B2 Heterocyclyl-substituted dihydroquinazolines and their use as antiviral agents AICURIS GMBH & CO. KG (DE) 2013-01-01 US disclosed
EP-1625129-B1 HETEROCYCLYL-SUBSTITUTED DIHYDROQUINAZOLINES AND USE THEREOF AS AN ANTIVIRAL AGENT BAYER HEALTHCARE AG (DE) 2008-03-05 EP disclosed
US-20070185121-A1 Heterocyclyl-substituted dihydroquinazolines and their use as antiviral agents BAYER HEALTHCARE AG (DE) 2007-08-09 US disclosed
US-20070185121-A1 Heterocyclyl-substituted dihydroquinazolines and their use as antiviral agents BAYER HEALTHCARE AG (DE) 2007-08-09 US disclosed
US-20070185121-A1 Heterocyclyl-substituted dihydroquinazolines and their use as antiviral agents BAYER HEALTHCARE AG (DE) 2007-08-09 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 (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-20070185121-A1 Heterocyclyl-substituted dihydroquinazolines and their use as antiviral agents TYMP, RPL35, EIF2AK2 MTNR1A 3754/4885MTNR1B 3759/4885L3MBTL1 4509/4885

“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.