SCHEMBL17545911

SCHEMBL17545911

CCCN(c1ncnc2c1ccn2S(=O)(=O)c1ccc(C)cc1)C1CCCNC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.39
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ HTR6 P50406 6/20 0.35
▸ CHEK1 O14757 3/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ ACHE P22303 1/20 0.32
▸ KLK7 P49862 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ VEGFA P15692 1/20 0.32
▸ EGLN1 Q9GZT9 1/20 0.32
▸ MCOLN3 Q8TDD5 1/20 0.31
▸ RAPGEF4 Q8WZA2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ ATR Q13535 1/20 0.31
▸ ATRIP Q8WXE1 1/20 0.31

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
SCHEMBL6128817 1.00 TP53 (0.39) TP53JAK2JAK1L3MBTL1HTR6
SCHEMBL6128820 0.93 TP53 (0.46) TP53JAK2JAK1L3MBTL1HTR6
SCHEMBL17545901 0.93 TP53 (0.46) TP53JAK2JAK1L3MBTL1HTR6
SCHEMBL6128888 0.92 CHEK1 (0.40) TP53JAK2JAK1L3MBTL1HTR6
SCHEMBL17545924 0.90 HTR6 (0.37) TP53JAK2JAK1L3MBTL1HTR6
SCHEMBL17527425 0.89 CHEK1 (0.44) TP53JAK2JAK1L3MBTL1HTR6
SCHEMBL2729501 0.89 CHEK1 (0.44) TP53JAK2JAK1L3MBTL1HTR6
SCHEMBL17545920 0.89 HTR6 (0.36) TP53JAK2JAK1L3MBTL1HTR6
SCHEMBL17545890 0.88 ALDH1A1 (0.37) TP53JAK2JAK1L3MBTL1HTR6
SCHEMBL17545892 0.87 JAK2 (0.37) TP53JAK2JAK1L3MBTL1HTR6

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-20170027956-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. 2017-02-02 — — US disclosed
US-20170027956-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. 2017-02-02 — — US disclosed
US-9273028-B2 Heterocyclic tyrosine kinase inhibitors BIOGEN MA INC. (US) 2016-03-01 — — US disclosed
US-9273028-B2 Heterocyclic tyrosine kinase inhibitors BIOGEN MA INC. (US) 2016-03-01 — — 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-20170027956-A1 HETEROCYCLIC TYROSINE KINASE INHIBITORS TEC, ABL1, LCK TP53 452/4885JAK2 127/4885JAK1 120/4885

“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.

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