SCHEMBL17545901

SCHEMBL17545901

CCN(c1ncnc2c1ccn2S(=O)(=O)c1ccc(C)cc1)[C@H]1CCCNC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.46
▸ CHEK1 O14757 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ JAK2 O60674 2/20 0.37
▸ JAK1 P23458 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ HTR6 P50406 6/20 0.36
▸ VEGFA P15692 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.34
▸ ACHE P22303 1/20 0.33
▸ KLK7 P49862 1/20 0.33
▸ MAPKAPK2 P49137 1/20 0.33
▸ MCOLN3 Q8TDD5 1/20 0.32
▸ RAPGEF4 Q8WZA2 1/20 0.32
▸ ATR Q13535 1/20 0.32
▸ ATRIP Q8WXE1 1/20 0.32

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
SCHEMBL6128820 1.00 TP53 (0.46) TP53CHEK1KCNH2JAK2JAK1
SCHEMBL17545911 0.93 TP53 (0.39) TP53CHEK1KCNH2JAK2JAK1
SCHEMBL6128817 0.93 TP53 (0.39) TP53CHEK1KCNH2JAK2JAK1
SCHEMBL6128888 0.91 CHEK1 (0.40) TP53CHEK1KCNH2JAK2JAK1
SCHEMBL17545890 0.89 ALDH1A1 (0.37) TP53CHEK1KCNH2JAK2JAK1
SCHEMBL2729078 0.89 JAK2 (0.37) TP53CHEK1KCNH2JAK2JAK1
SCHEMBL17545892 0.89 JAK2 (0.37) TP53CHEK1KCNH2JAK2JAK1
SCHEMBL17545924 0.88 HTR6 (0.37) TP53CHEK1KCNH2JAK2JAK1
SCHEMBL17545881 0.88 JAK1 (0.47) CHEK1KCNH2JAK2JAK1L3MBTL1
SCHEMBL2729501 0.88 CHEK1 (0.44) TP53CHEK1KCNH2JAK2JAK1

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 452/4885CHEK1 140/4885KCNH2 4105/4885

“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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