Sugi Predict

Sugi Predict / Compounds / SCHEMBL1267358

SCHEMBL1267358

SCHEMBL1267358

O=C(c1sc2c(ccc(=O)n2-c2ccccc2)c1Nc1ccc(F)c(Cl)c1)N1CCC[C@H]1CO

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 1/20 0.39
▸ EGFR P00533 3/20 0.39
▸ NTRK1 P04629 2/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ RAB9A P51151 1/20 0.35
▸ KCNJ6 P48051 2/20 0.35
▸ KCNJ5 P48544 2/20 0.35
▸ KCNJ3 P48549 2/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ MAT2A P31153 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ UBE2M P61081 1/20 0.34
▸ DCUN1D1 Q96GG9 1/20 0.34
▸ MCHR1 Q99705 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL1265851 1.00 MALT1 (0.39) MALT1EGFRNTRK1HRH3RAB9A
SCHEMBL1267338 0.91 RAB9A (0.39) NTRK1HRH3RAB9AMEN1KMT2A
SCHEMBL1266088 0.91 RAB9A (0.39) NTRK1HRH3RAB9AMEN1KMT2A
SCHEMBL3829840 0.91 RAB9A (0.39) NTRK1HRH3RAB9AMEN1KMT2A
SCHEMBL1266625 0.90 L3MBTL1 (0.43) HRH3MAT2AMAPTMEN1KMT2A
SCHEMBL1266840 0.88 MEN1 (0.42) HRH3RAB9AMEN1KMT2A
SCHEMBL1266246 0.88 MEN1 (0.42) HRH3RAB9AMEN1KMT2A
SCHEMBL1265830 0.87 RAB9A (0.37) EGFRHRH3RAB9AMEN1KMT2A
SCHEMBL1266283 0.86 HRH3 (0.41) NTRK1HRH3RAB9AMAT2AMEN1
SCHEMBL1267379 0.86 HRH3 (0.41) NTRK1HRH3RAB9AMAT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521460-B2 Thienopyridone derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2009-04-21 — — US claimed
US-20070099894-A1 e.g. 3-[(2,4-Difluorophenyl)amino]-2-{[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl}-7-phenylthieno[2,3-b]pyridin-6(7H)-one; autoimmune, neurodegenerative disorders, antiinflammatory agent; p38 MAP kinase inhibitor CELLTECH R&D LIMITED (GB) 2007-05-03 — — US claimed
US-20110034495-A1 Method of Modulating Stress-Activated Protein Kinase System INTERMUNE, INC. (US) 2011-02-10 — — US disclosed
US-7521460-B2 Thienopyridone derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2009-04-21 — — US disclosed
US-20070099894-A1 e.g. 3-[(2,4-Difluorophenyl)amino]-2-{[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl}-7-phenylthieno[2,3-b]pyridin-6(7H)-one; autoimmune, neurodegenerative disorders, antiinflammatory agent; p38 MAP kinase inhibitor CELLTECH R&D LIMITED (GB) 2007-05-03 — — 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 (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-20110034495-A1 Method of Modulating Stress-Activated Protein Kinase System MAPKAPK2, MAP3K6, MAP3K2 MALT1 1242/4885EGFR 3014/4885NTRK1 1099/4885
US-20070099894-A1 e.g. 3-[(2,4-Difluorophenyl)amino]-2-{[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl}-7-phenylthieno[2,3-b]pyridin-6(7H)-one; autoimmune, neurodegenerative disorders, antiinflammatory agent; p38 MAP kinase inhibitor MAPK1, MAPKAPK2, MAPK6 MALT1 556/4885EGFR 2542/4885NTRK1 403/4885

“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.