SCHEMBL5622129

SCHEMBL5622129

COC(=O)c1cc2cc(C)ccc2n1CC#N

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
TP53 P04637 4/20 0.45
LMNA P02545 4/20 0.45
PTGS2 P35354 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
THRB P10828 1/20 0.41
CNR1 P21554 1/20 0.41
HRH3 Q9Y5N1 1/20 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
SCHEMBL7837255 0.84 MTNR1A (0.58) MAPTMTNR1AMTNR1B
SCHEMBL3954003 0.80 L3MBTL1 (0.49) LMNAPTGS2L3MBTL1MTNR1AMTNR1B
SCHEMBL5623096 0.80 MAPT (0.49) MAPTTP53LMNAL3MBTL1GAA
SCHEMBL4707041 0.80 LMNA (0.37) MAPTTP53LMNAL3MBTL1RXFP1
SCHEMBL5622754 0.78 MTNR1A (0.61) MAPTPTGS2L3MBTL1NPSR1MTNR1A
SCHEMBL5621752 0.78 NOD2 (0.53) MAPTLMNANPSR1TSHRRXFP1
SCHEMBL29262518 0.78 F10 (0.44) MAPTTP53LMNAL3MBTL1TSHR
SCHEMBL5917423 0.78 PTGS2 (0.46) MAPTTP53LMNAPTGS2L3MBTL1
SCHEMBL19252931 0.78 PTGS2 (0.45) MAPTPTGS2L3MBTL1GAANPSR1
SCHEMBL28156085 0.77 MAPT (0.45) MAPTTP53LMNAPTGS2L3MBTL1

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-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
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 MAPT 2799/4885TP53 404/4885LMNA 1763/4885

“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.