Sugi Predict

Sugi Predict / Compounds / SCHEMBL3759281

SCHEMBL3759281

SCHEMBL3759281

COc1c(CCSC(C)=O)cnc(OCc2ccccc2)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SQOR Q9Y6N5 1/20 0.38
▸ KCNA3 P22001 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ XDH P47989 1/20 0.34
▸ VEGFA P15692 1/20 0.34
▸ MAPK8 P45983 3/20 0.33
▸ MAPK9 P45984 3/20 0.33
▸ RPS27 P42677 2/20 0.33
▸ MAPK10 P53779 2/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALPG P10696 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RCE1 Q9Y256 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
SCHEMBL846782 0.84 SQOR (0.43) SQORRPS27MAOB
SCHEMBL846233 0.84 SQOR (0.45) SQORL3MBTL1XDHMAOBGAA
SCHEMBL845322 0.79 SQOR (0.44) SQORL3MBTL1MAOBMAPTKDM4E
SCHEMBL845509 0.74 SQOR (0.46) SQORL3MBTL1MAOBMAPTKDM4E
SCHEMBL21226761 0.74 SQOR (0.46) SQORL3MBTL1MAOBMAPTKDM4E
SCHEMBL846353 0.74 ALDH1A1 (0.38) SQORXDHGAAMAPTKDM4E
SCHEMBL6093037 0.67 FFAR1 (0.63) L3MBTL1MAOBALDH1A1
SCHEMBL6882189 0.66 ALDH1A1 (0.57) ALDH1A1MAPK1
SCHEMBL845823 0.66 SQOR (0.39) SQORMAPK8MAPK9RPS27MAPK10
SCHEMBL27635573 0.65 MTNR1A (0.58) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334274-B2 N-(hetero)aryl-pyrrolidine derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines and pyrrol-3-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-05-10 — — US disclosed
US-20140221379-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2014-08-07 — — US disclosed
US-8716303-B2 N-(hetero)aryl-pyrrolidine derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines and pyrrol-3-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE CORPORATION (US) 2014-05-06 — — US disclosed
US-20100298334-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2010-11-25 — — 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-20100298334-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 SQOR 1693/4885KCNA3 2509/4885L3MBTL1 4078/4885
US-20140221379-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 SQOR 1693/4885KCNA3 2509/4885L3MBTL1 4078/4885

“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.