SCHEMBL5622293

SCHEMBL5622293

COC(=O)c1cc2ccc(C)cc2n1C#N

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
GLA P06280 1/20 0.42
MAPT P10636 6/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
GAA P10253 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MTNR1A P48039 3/20 0.37
MTNR1B P49286 3/20 0.37
CCR9 P51686 1/20 0.36
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
THRB P10828 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
SCHEMBL5623096 0.89 MAPT (0.49) KDM4ETSHRHSD17B10GLAMAPT
SCHEMBL5622006 0.84 L3MBTL1 (0.56) KDM4EHSD17B10L3MBTL1MTNR1AMTNR1B
SCHEMBL7881270 0.79 L3MBTL1 (0.59) KDM4EHSD17B10MAPTL3MBTL1LMNA
SCHEMBL4705478 0.78 KDM4E (0.36) KDM4ETSHRHSD17B10GLAMAPT
SCHEMBL10950705 0.77 MAPT (0.42) KDM4ETSHRHSD17B10GLAMAPT
SCHEMBL19013607 0.71 NR1H2 (0.45) KDM4ETSHRHSD17B10GLAMAPT
SCHEMBL5622129 0.71 MAPT (0.46) TSHRMAPTL3MBTL1LMNATP53
SCHEMBL10002626 0.71 NOD1 (0.61) KDM4ETSHRHSD17B10MAPTL3MBTL1
SCHEMBL5276250 0.70 NOD2 (0.56) KDM4ETSHRGLAMAPTL3MBTL1
SCHEMBL7877590 0.70 L3MBTL1 (0.72) KDM4EHSD17B10MAPTL3MBTL1LMNA

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 2 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-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 KDM4E 2609/4885TSHR 4876/4885HSD17B10 4318/4885

“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.