SCHEMBL4299585

SCHEMBL4299585

CCOCc1nc2c(NCc3ccccc3)nc(C)c(C)c2n1NCCCNC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
SIRT5 Q9NXA8 2/20 0.36
SLC26A6 Q9BXS9 2/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
NPSR1 Q6W5P4 3/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.35
HTT P42858 2/20 0.35
CDC7 O00311 1/20 0.34

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
SCHEMBL4307165 0.91 TSHR (0.36) ALDH1A1KDM4EHSD17B10SMN1; SMN2SIRT5
SCHEMBL4296504 0.88 TLR7 (0.35) ALDH1A1KDM4EHSD17B10SMN1; SMN2SLC26A6
SCHEMBL4299892 0.80 TLR7 (0.30)
SCHEMBL19469393 0.77 TLR7 (0.49) SMN1; SMN2
SCHEMBL4296234 0.77 CDK1 (0.39) ALDH1A1KDM4EHSD17B10SMN1; SMN2HPGD
SCHEMBL5420489 0.75 TLR7 (0.56)
SCHEMBL13663013 0.74 TLR7 (0.45)
SCHEMBL4302627 0.74 RAB9A (0.42) ALDH1A1KDM4EHSD17B10GAACYP1A2
SCHEMBL13663024 0.73 TLR7 (0.37) MEN1KMT2ATSHR
SCHEMBL4756426 0.72 TLR7 (0.41) ALDH1A1HSD17B10SMN1; SMN2GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270443-A1 1-AMINO IMIDAZO-CONTAINING COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. 2009-10-29 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-20090270443-A1 1-AMINO IMIDAZO-CONTAINING COMPOUNDS AND METHODS IL2, IL4I1, IFNG ALDH1A1 821/4885KDM4E 3088/4885HSD17B10 4510/4885

“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.