SCHEMBL26345522

SCHEMBL26345522

Cc1cc(NCCCNC(=O)CC(C)(C)C)nc(N)n1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.57
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.44
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
BRD4 O60885 6/20 0.40
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
DNMT1 P26358 1/20 0.38
DNMT3L Q9UJW3 1/20 0.38
DNMT3A Q9Y6K1 1/20 0.38
HSP90AB1 P08238 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
CYP1A2 P05177 1/20 0.36
NUDT1 P36639 1/20 0.36

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
SCHEMBL13097151 0.76 GAA (0.65) TLR8GAAATMHSD17B10ALDH1A1
SCHEMBL29442374 0.75 TLR8 (0.78) TLR8GAAATMHSD17B10ALDH1A1
SCHEMBL26345520 0.75 TLR8 (0.78) TLR8GAAATMHSD17B10ALDH1A1
SCHEMBL20434306 0.73 TLR8 (1.00) TLR8ALDH1A1MEN1KMT2A
SCHEMBL5792943 0.73 TLR8 (0.66) TLR8GAAATMHSD17B10ALDH1A1
SCHEMBL2849398 0.72 TLR8 (0.90) TLR8GAAATMALDH1A1CYP2D6
SCHEMBL18072294 0.72 TLR8 (0.58) TLR8GAAATMCYP2D6CYP2C19
SCHEMBL10819645 0.72 GAA (0.51) TLR8GAAATMHPGDCYP2D6
SCHEMBL5791298 0.71 TLR8 (0.88) TLR8GAAATMALDH1A1CYP2D6
SCHEMBL15758161 0.70 CYP2D6 (0.63) TLR8GAAALDH1A1CYP2D6CYP2C19

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-20230303512-A1 MODULATORS OF MYB-MEDIATED TRANSCRIPTION AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-09-28 US disclosed
US-20230303512-A1 MODULATORS OF MYB-MEDIATED TRANSCRIPTION AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-09-28 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-20230303512-A1 MODULATORS OF MYB-MEDIATED TRANSCRIPTION AND USES THEREOF MYB, MYBBP1A, MYCBP TLR8 4281/4885GAA 3712/4885ATM 443/4885

“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.