Sugi Predict

Sugi Predict / Compounds / SCHEMBL2800281

SCHEMBL2800281

SCHEMBL2800281

Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1CN1CCS(=O)(=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ROCK1 Q13464 1/20 0.39
▸ RAB9A P51151 1/20 0.35
▸ LPL P06858 1/20 0.34
▸ LIPG Q9Y5X9 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP2A13 Q16696 1/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 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
SCHEMBL2800781 0.89 KMT2A (0.41) NPC1ALDH1A1KMT2AMEN1ROCK1
SCHEMBL2798956 0.87 ROCK1 (0.50) NPC1ALDH1A1KMT2AMEN1ROCK1
SCHEMBL29725194 0.86 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1ROCK1LPL
SCHEMBL21565713 0.86 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1ROCK1LPL
SCHEMBL2799913 0.84 KMT2A (0.49) ALDH1A1KMT2AROCK1LPLLIPG
SCHEMBL2801616 0.84 CYP2A13 (0.51) KMT2AMEN1ROCK1LMNACYP2A13
SCHEMBL217370 0.81 MEN1 (0.57) NPC1ALDH1A1KMT2AMEN1RAB9A
SCHEMBL20745563 0.79 LMNA (0.51) NPC1ALDH1A1KMT2AMEN1RAB9A
SCHEMBL9886024 0.77 KMT2A (0.52) NPC1ALDH1A1KMT2AMEN1RAB9A
SCHEMBL16419564 0.75 LIPG (0.49) ROCK1LPLLIPGCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155201-B1 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES NOVARTIS AG (CH) 2012-08-01 — — EP disclosed
EP-2155201-B1 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES NOVARTIS AG (CH) 2012-08-01 — — EP disclosed
US-8193189-B2 Quinoxaline derivatives as tyrosine kinase activity inhibitors NOVARTIS AG (CH) 2012-06-05 — — US disclosed
US-8193189-B2 Quinoxaline derivatives as tyrosine kinase activity inhibitors NOVARTIS AG (CH) 2012-06-05 — — US disclosed
US-8193189-B2 Quinoxaline derivatives as tyrosine kinase activity inhibitors NOVARTIS AG (CH) 2012-06-05 — — US disclosed
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors NOVARTIS AG 2010-07-01 — — US disclosed
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors NOVARTIS AG 2010-07-01 — — US disclosed
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors NOVARTIS AG 2010-07-01 — — US disclosed
WO-2008148867-A2 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES NOVARTIS AG (CH) 2008-12-11 — — 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-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors JAK2, JAK1, JAK3 NPC1 4739/4885ALDH1A1 3217/4885KMT2A 813/4885

“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.