SCHEMBL5622751

SCHEMBL5622751

CCOC(=O)c1cc2c(C)cccc2n1C#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.51
NOD2 Q9HC29 5/20 0.43
NOD1 Q9Y239 5/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALOX5 P09917 1/20 0.42
KDM4E B2RXH2 5/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
SLC9A1 P19634 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ELANE P08246 2/20 0.39

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
SCHEMBL5622537 0.87 ALDH1A1 (0.41) F10NOD2NOD1MEN1KMT2A
SCHEMBL5276250 0.84 NOD2 (0.56) F10NOD2NOD1MEN1KMT2A
SCHEMBL5623862 0.82 F10 (0.57) F10NOD2NOD1MEN1KMT2A
SCHEMBL17323120 0.80 F10 (0.57) F10NOD2NOD1MEN1KMT2A
SCHEMBL4706633 0.80 ALOX5 (0.38) F10MEN1KMT2AALOX5KDM4E
SCHEMBL6432920 0.76 F10 (0.67) F10NOD2NOD1KDM4ESMN1; SMN2
SCHEMBL5622265 0.75 NOD2 (0.46) NOD2NOD1MEN1KMT2AALOX5
SCHEMBL7955701 0.74 F10 (0.57) F10NOD2NOD1MEN1KMT2A
SCHEMBL5624787 0.73 F10 (0.48) F10NOD2NOD1MEN1KMT2A
SCHEMBL11927322 0.73 NOD2 (0.66) F10NOD2NOD1MEN1KMT2A

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 F10 3036/4885NOD2 229/4885NOD1 391/4885

“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.