SCHEMBL2601379

SCHEMBL2601379

C=CS(=O)(=O)C(C)CCn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 18/20 0.63
▸ LCK P06239 5/20 0.63
▸ ITK Q08881 5/20 0.63
▸ EGFR P00533 4/20 0.63
▸ JAK3 P52333 4/20 0.63
▸ NUDT14 O95848 1/20 0.57
▸ NUDT5 Q9UKK9 1/20 0.57
▸ PIK3CD O00329 1/20 0.54
▸ PIK3CA P42336 1/20 0.54
▸ PIK3CB P42338 1/20 0.54
▸ PIK3CG P48736 1/20 0.54
▸ PRKDC P78527 1/20 0.54
▸ BMX P51813 3/20 0.50
▸ FYN P06241 2/20 0.50
▸ YES1 P07947 1/20 0.49
▸ LYN P07948 1/20 0.49
▸ HCK P08631 1/20 0.49
▸ FGR P09769 1/20 0.49
▸ SRC P12931 1/20 0.49
▸ FLT3 P36888 1/20 0.49

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
SCHEMBL27019885 0.85 PIK3CD (0.72) BTKLCKITKEGFRJAK3
SCHEMBL410078 0.82 BTK (0.75) BTKLCKITKEGFRJAK3
SCHEMBL410076 0.82 BTK (0.72) BTKLCKITKEGFRJAK3
SCHEMBL27019883 0.81 NUDT14 (0.66) BTKLCKITKEGFRJAK3
SCHEMBL13861437 0.81 BTK (0.72) BTKLCKITKEGFRJAK3
SCHEMBL29665672 0.81 BTK (0.72) BTKLCKITKEGFRJAK3
Hydrochloric Acid SCHEMBL29665759 0.80 BTK (0.70) BTKLCKITKEGFRJAK3
SCHEMBL25479854 0.79 BTK (0.69) BTKLCKITKEGFRJAK3
SCHEMBL15686218 0.79 BTK (0.61) BTKLCKITKEGFRJAK3
SCHEMBL25069017 0.79 NUDT14 (0.68) BTKLCKITKEGFRJAK3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120100138-A1 THE USE OF INHIBITORS OF BRUTON'S TYROSINE KINASE (BTK) PHARMACYCLICS, INC. (US) 2012-04-26 — — US disclosed
US-20120100138-A1 THE USE OF INHIBITORS OF BRUTON'S TYROSINE KINASE (BTK) PHARMACYCLICS, INC. (US) 2012-04-26 — — 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-20120100138-A1 THE USE OF INHIBITORS OF BRUTON'S TYROSINE KINASE (BTK) BTK, SYK, LYN BTK 1/4885LCK 5/4885ITK 358/4885

“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.

Send feedback