SCHEMBL25858317

SCHEMBL25858317

Brc1nnc(N2CCN(C3COC3)CC2)s1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.38
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 2/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL25858258 0.83 HRH3 (0.37) HRH3
SCHEMBL21738049 0.83 HRH3 (0.37) HRH3
SCHEMBL21738043 0.83 HRH3 (0.37) HRH3
SCHEMBL25859539 0.74 RAB9A (0.42) ALDH1A1MAPK1NPC1HPGDTSHR
SCHEMBL21738058 0.74
SCHEMBL25858276 0.74 ALDH1A1 (0.33) ALDH1A1HPGD
SCHEMBL2377170 0.73 HRH3 (0.64) HRH3
SCHEMBL21725122 0.72 ALDH1A1 (0.57) HRH3ALDH1A1MAPK1KDM4ENPC1
SCHEMBL21737951 0.70 ALDH1A1 (0.61) HRH3ALDH1A1MAPK1NPC1RAB9A
SCHEMBL26111010 0.70 HRH3 (0.47) HRH3

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-11702414-B2 Thiadiazole IRAK4 inhibitors GILEAD SCIENCES, INC. (US) 2023-07-18 US disclosed
US-11702414-B2 Thiadiazole IRAK4 inhibitors GILEAD SCIENCES, INC. (US) 2023-07-18 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-11702414-B2 Thiadiazole IRAK4 inhibitors IRAK4, IRAK3, IRAK1 HRH3 932/4885ALDH1A1 1763/4885MAPK1 324/4885

“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.