Sugi Predict

Sugi Predict / Compounds / SCHEMBL1507294

SCHEMBL1507294

SCHEMBL1507294

CC(C)(C)N(Cc1nc2cc(Br)cnc2[nH]1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.35
▸ MAPK10 P53779 1/20 0.34
▸ TDP1 Q9NUW8 2/20 0.32
▸ PPARG P37231 1/20 0.32
▸ CCR6 P51684 1/20 0.32
▸ NCOR2 Q9Y618 1/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ ALK Q9UM73 2/20 0.32
▸ FGFR1 P11362 2/20 0.32
▸ AURKA O14965 1/20 0.32
▸ DAPK3 O43293 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ PRKD3 O94806 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ PAK4 O96013 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ FYN P06241 1/20 0.32
▸ RET P07949 1/20 0.32

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
SCHEMBL1507112 0.78 ULK1 (0.39) —
SCHEMBL5110654 0.73 ALDH1A1 (0.44) ALDH1A1MAPK10MEN1KMT2AALK
SCHEMBL1284719 0.72 MEN1 (0.39) ALDH1A1TDP1MEN1KMT2ALMNA
SCHEMBL2721703 0.72 GAA (0.41) ALDH1A1TDP1ALKFGFR1AURKA
SCHEMBL7835407 0.72 TDP1 (0.39) ALDH1A1MAPK10TDP1MEN1KMT2A
SCHEMBL7478096 0.72 MEN1 (0.50) TDP1MEN1KMT2APRKAA1MAPT
SCHEMBL23522705 0.71 PRKAG1 (0.56) PRKAA1LMNA
SCHEMBL3618529 0.70 MEN1 (0.34) ALDH1A1MEN1KMT2ALMNA
SCHEMBL22490329 0.70 KDM4E (0.40) ALDH1A1TDP1KMT2AALKFGFR1
SCHEMBL855352 0.70 DYRK1A (0.37) ALDH1A1MAPK10TDP1ALKFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300485-B1 PYRROLO-[2, 3-C]-PYRIDINE DERIVATIVES AS P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME (US) 2012-01-18 — — EP disclosed
US-8017605-B2 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. (US) 2011-09-13 — — US disclosed
US-20110105430-A1 PYRROLO [2,3-C] PYRIDINE DERIVATIVES AS P38 KINEASE INHIBITING AGENTS SAHOO SOUMYA P 2011-05-05 — — US disclosed
EP-2300485-A1 PYRROLO Ý2, 3-C¨PYRIDINE DERIVATIVES AS P38 KINASE INHIBITING AGENTS Merck Sharp & Dohme Corp. (US) 2011-03-30 — — EP disclosed
US-20090325953-A1 P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME LLC 2009-12-31 — — US disclosed
WO-2009152072-A1 PYRROLO [2, 3-C] PYRIDINE DERIVATIVES AS P38 KINASE INHIBITING AGENTS MERCK & CO., INC. (US) 2009-12-17 — — 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 (2 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-20090325953-A1 P38 KINASE INHIBITING AGENTS MAPK1, MAPK8, MAPKAPK2 ALDH1A1 1263/4885MAPK10 9/4885TDP1 445/4885
US-20110105430-A1 PYRROLO [2,3-C] PYRIDINE DERIVATIVES AS P38 KINEASE INHIBITING AGENTS MAPK1, MAP3K8, MAPK8 ALDH1A1 1902/4885MAPK10 40/4885TDP1 439/4885

“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.