SCHEMBL12059754

SCHEMBL12059754

Cc1csc(-c2ccc3c(C(N)=O)n[nH]c3c2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 3/20 0.51
▸ JAK2 O60674 2/20 0.51
▸ TYK2 P29597 2/20 0.51
▸ JAK3 P52333 2/20 0.51
▸ HAO1 Q9UJM8 2/20 0.47
▸ TGFBR1 P36897 3/20 0.40
▸ PAK1 Q13153 3/20 0.39
▸ AURKA O14965 1/20 0.39
▸ PDPK1 O15530 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ TLR9 Q9NR96 1/20 0.39
▸ TLR8 Q9NR97 1/20 0.39
▸ TLR7 Q9NYK1 1/20 0.39
▸ MAPK1 P28482 2/20 0.38
▸ MAP2K4 P45985 1/20 0.38
▸ MAPKAPK2 P49137 1/20 0.38
▸ MAPKAPK3 Q16644 1/20 0.38
▸ MAPK6 Q16659 1/20 0.38
▸ MAPKAPK5 Q8IW41 1/20 0.38

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
SCHEMBL1176308 0.89 HAO1 (0.57) HAO1TGFBR1PAK1
SCHEMBL13069126 0.83 PAK1 (0.49) JAK1JAK2TYK2JAK3HAO1
SCHEMBL1176676 0.79 HAO1 (0.66) HAO1TLR9TLR8TLR7MAPK1
SCHEMBL12582650 0.78 JAK1 (0.51) JAK1JAK2TYK2JAK3PAK1
SCHEMBL12844158 0.78 TLR9 (0.40) HAO1TGFBR1AURKAPDPK1ROCK1
SCHEMBL15199686 0.77 USP30 (0.41) HAO1PAK1
SCHEMBL1572497 0.77 HAO1 (0.39) HAO1PAK1TLR9TLR8TLR7
SCHEMBL1175790 0.76 GRM5 (0.40) JAK1JAK2TYK2JAK3HAO1
SCHEMBL5042765 0.76 GRM5 (0.40) JAK1JAK2TYK2JAK3HAO1
SCHEMBL2851481 0.75 NTMT1 (0.47) —

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-20110319407-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF XIE WENGE (US) 2011-12-29 — — US disclosed
EP-1742944-B1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARM CORP (US) 2010-11-10 — — EP 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-20110319407-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF CHRNA7, CHRNA5, CHRNA3 JAK1 2924/4885JAK2 2835/4885TYK2 1318/4885

“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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