SCHEMBL17545841

SCHEMBL17545841

Cc1ccc(S(=O)(=O)n2ccc3c(N[C@H]4CCCN(C(=O)CNc5ccccc5C(F)(F)F)C4)ncnc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.47
MAPK3 P27361 5/20 0.42
SCD O00767 1/20 0.41
PIK3CD O00329 1/20 0.40
PIK3R1 P27986 1/20 0.40
CACNA1G O43497 1/20 0.38
KCNH2 Q12809 1/20 0.38
JAK3 P52333 1/20 0.37

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
SCHEMBL17527477 0.92 BTK (0.44) BTKPIK3CDPIK3R1JAK3
SCHEMBL17527478 0.92 BTK (0.44) BTKPIK3CDPIK3R1JAK3
SCHEMBL17545842 0.89 BTK (0.47) BTKPIK3CDPIK3R1JAK3
SCHEMBL17545845 0.89 BTK (0.41) BTKPIK3CDJAK3
SCHEMBL17545850 0.88 BTK (0.52) BTKPIK3CDPIK3R1JAK3
SCHEMBL17527480 0.88 BTK (0.58) BTKPIK3CDPIK3R1JAK3
SCHEMBL17527479 0.88 BTK (0.58) BTKPIK3CDPIK3R1JAK3
SCHEMBL17545843 0.87 BTK (0.64) BTKPIK3CDPIK3R1KCNH2
SCHEMBL17527281 0.87 BTK (0.51) BTKPIK3CDPIK3R1JAK3
SCHEMBL17527283 0.87 BTK (0.51) BTKPIK3CDPIK3R1JAK3

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 BTK 4/4885MAPK3 236/4885SCD 4662/4885

“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.