SCHEMBL17545843

SCHEMBL17545843

Cc1ccc(S(=O)(=O)n2ccc3c(N[C@H]4CCCN(C(=O)CNc5cccc(C(F)(F)F)c5)C4)ncnc32)cc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.64
PHGDH O43175 2/20 0.42
PIK3CD O00329 3/20 0.40
PIK3R1 P27986 1/20 0.40
PIK3CA P42336 1/20 0.40
CCR2 P41597 1/20 0.39
KCNH2 Q12809 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL17527479 0.94 BTK (0.58) BTKPIK3CDPIK3R1PIK3CA
SCHEMBL17527480 0.94 BTK (0.58) BTKPIK3CDPIK3R1PIK3CA
SCHEMBL17545850 0.92 BTK (0.52) BTKPHGDHPIK3CDPIK3R1PIK3CA
SCHEMBL17527474 0.91 BTK (0.52) BTKPIK3CDPIK3R1PIK3CAKMT2A
SCHEMBL17527472 0.91 BTK (0.52) BTKPIK3CDPIK3R1PIK3CAKMT2A
SCHEMBL17527332 0.91 BTK (0.65) BTK
SCHEMBL17527333 0.91 BTK (0.65) BTK
SCHEMBL17545848 0.90 BTK (0.63) BTKPIK3CDPIK3CA
SCHEMBL17545841 0.87 BTK (0.47) BTKPIK3CDPIK3R1KCNH2
SCHEMBL17527452 0.87 BTK (0.49) BTKPIK3CDPIK3R1KMT2A

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 4/4885PHGDH 2489/4885PIK3CD 108/4885

“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.