SCHEMBL31044829

SCHEMBL31044829

CCc1nc(NCCCn2cccn2)c2cc(C)sc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 1/20 0.43
▸ TLR7 Q9NYK1 1/20 0.43
▸ NLRP3 Q96P20 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CSNK2A2 P19784 1/20 0.33
▸ FGFR2 P21802 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ CSNK1A1 P48729 1/20 0.33
▸ CSNK1D P48730 1/20 0.33
▸ CSNK1E P49674 1/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ CSNK2B P67870 1/20 0.33
▸ CSNK2A1 P68400 1/20 0.33
▸ CSNK1G2 P78368 1/20 0.33
▸ CSNK1G1 Q9HCP0 1/20 0.33
▸ PRKCI P41743 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
SCHEMBL31044672 0.88 HSD17B10 (0.40) HSD17B10MAPK1KDM4EALDH1A1GSK3A
SCHEMBL20668004 0.81 ALDH1A1 (0.41) TLR8TLR7HSD17B10KDM4EALDH1A1
SCHEMBL31045119 0.79 TLR8 (0.47) TLR8TLR7HSD17B10MAPK1KDM4E
SCHEMBL20667921 0.79 KDM4E (0.42) HSD17B10KDM4EALDH1A1CSNK2A2CSNK2B
SCHEMBL31045366 0.77 MAPK1 (0.43) HSD17B10MAPK1KDM4EALDH1A1PRKCI
SCHEMBL20667985 0.77 RAD52 (0.40) HSD17B10MAPK1KDM4EALDH1A1KMT2A
SCHEMBL20667918 0.77 HPGD (0.40) HSD17B10KDM4EALDH1A1MEN1KMT2A
SCHEMBL20667986 0.76 TLR8 (0.41) TLR8TLR7
SCHEMBL20659871 0.76 KDM4E (0.37) HSD17B10KDM4EALDH1A1PRKCIMEN1
SCHEMBL29991747 0.76 KDM4E (0.37) HSD17B10KDM4EALDH1A1PRKCI

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-20240279236-A1 COMPOUNDS AND METHODS OF TREATING TUBERCULOSIS FIMBRION THERAPEUTICS, INC. (US) 2024-08-22 — — 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-20240279236-A1 COMPOUNDS AND METHODS OF TREATING TUBERCULOSIS G6PD, SDHA, NQO1 TLR8 528/4885TLR7 1209/4885NLRP3 2903/4885

“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.

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