Sugi Predict

Sugi Predict / Compounds / SCHEMBL3512249

SCHEMBL3512249

SCHEMBL3512249

CC(C)(O)c1ccc(-c2cc(C(N)=O)c(N)s2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 2/20 0.54
▸ GAA P10253 5/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ MAPT P10636 4/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ JAK2 O60674 5/20 0.39
▸ ALOX5AP P20292 1/20 0.39
▸ ADORA1 P30542 2/20 0.39
▸ GFER P55789 1/20 0.38
▸ JAK3 P52333 3/20 0.38
▸ JAK1 P23458 2/20 0.37
▸ TYK2 P29597 2/20 0.37

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
SCHEMBL3510672 0.85 IKBKB (0.49) IKBKBGAAALDH1A1MEN1KMT2A
SCHEMBL3507361 0.83 JAK2 (0.37) IKBKBALDH1A1MEN1KMT2AMAPT
SCHEMBL1427928 0.81 IKBKB (0.63) IKBKBGAAALDH1A1MEN1KMT2A
SCHEMBL13139605 0.81 IKBKB (0.59) IKBKBGAAALDH1A1MEN1KMT2A
SCHEMBL3508452 0.78 IKBKB (0.59) IKBKBGAAALDH1A1MEN1KMT2A
SCHEMBL3510066 0.76 IKBKB (0.65) IKBKBGAAALDH1A1MEN1KMT2A
SCHEMBL1579168 0.75 IKBKB (0.63) IKBKBGAAALDH1A1MEN1KMT2A
SCHEMBL14679554 0.75 IKBKB (0.55) IKBKBGAAALDH1A1MEN1KMT2A
SCHEMBL5898698 0.74 IKBKB (0.71) IKBKBGAAALDH1A1MEN1KMT2A
SCHEMBL3508553 0.74 IKBKB (0.54) IKBKBGAAALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 — — US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 — — US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 — — US disclosed
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 — — EP disclosed
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 — — EP disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 — — US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 — — US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 — — US disclosed
EP-2166846-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 — — EP disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 — — WO disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 — — WO 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-20100256097-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 IKBKB 384/4885GAA 2947/4885ALDH1A1 3244/4885

“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.