Sugi Predict

Sugi Predict / Compounds / SCHEMBL2086253

SCHEMBL2086253

SCHEMBL2086253

COc1ccc(OC)c(S(=O)(=O)N2CCCN(CC(CC#N)n3cc(-c4ncnc5[nH]ccc45)cn3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYRO3 Q06418 2/20 0.53
▸ AXL P30530 1/20 0.52
▸ MERTK Q12866 1/20 0.52
▸ FGFR1 P11362 2/20 0.51
▸ KDR P35968 1/20 0.51
▸ JAK2 O60674 17/20 0.50
▸ JAK1 P23458 14/20 0.50
▸ JAK3 P52333 9/20 0.47
▸ TYK2 P29597 4/20 0.47
▸ RET P07949 3/20 0.47
▸ ROCK1 Q13464 3/20 0.47
▸ DAPK3 O43293 2/20 0.47
▸ PAK4 O96013 2/20 0.47
▸ ABL1 P00519 2/20 0.47
▸ LTK P29376 2/20 0.47
▸ CSNK1A1 P48729 2/20 0.47
▸ CLK2 P49760 2/20 0.47
▸ TNK2 Q07912 2/20 0.47
▸ DYRK1A Q13627 2/20 0.47
▸ IKBKE Q14164 2/20 0.47

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
SCHEMBL12845237 0.94 TYRO3 (0.53) TYRO3AXLMERTKFGFR1KDR
SCHEMBL2086714 0.93 TYRO3 (0.53) TYRO3AXLMERTKFGFR1KDR
SCHEMBL2086249 0.93 TYRO3 (0.53) TYRO3AXLMERTKFGFR1KDR
SCHEMBL2084621 0.85 TYRO3 (0.55) TYRO3AXLMERTKFGFR1JAK2
SCHEMBL2086141 0.85 TYRO3 (0.52) TYRO3AXLMERTKFGFR1KDR
SCHEMBL1499335 0.84 TYRO3 (0.56) TYRO3AXLMERTKFGFR1JAK2
SCHEMBL12780592 0.83 TYRO3 (0.44) TYRO3AXLMERTKFGFR1KDR
SCHEMBL1499271 0.83 TYRO3 (0.53) TYRO3AXLMERTKFGFR1JAK2
SCHEMBL1499382 0.82 TYRO3 (0.55) TYRO3AXLMERTKFGFR1JAK2
SCHEMBL1499410 0.82 JAK2 (0.63) TYRO3AXLMERTKFGFR1JAK2

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
US-9249145-B2 Heterocyclic derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-02-02 — — US claimed
US-20110059951-A1 HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2011-03-10 — — US claimed
US-9249145-B2 Heterocyclic derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-02-02 — — US disclosed
US-9249145-B2 Heterocyclic derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-02-02 — — US disclosed
US-20110059951-A1 HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2011-03-10 — — US disclosed
US-20110059951-A1 HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2011-03-10 — — 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 (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-20110059951-A1 HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 TYRO3 107/4885AXL 296/4885MERTK 515/4885

“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.