SCHEMBL15711180

SCHEMBL15711180

N#CCC(=O)N1CCC[C@H]1Cn1c(=O)n(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.56
▸ TEC P42680 3/20 0.55
▸ LCK P06239 6/20 0.54
▸ EGFR P00533 3/20 0.54
▸ RIPK2 O43353 1/20 0.54
▸ FYN P06241 1/20 0.54
▸ YES1 P07947 1/20 0.54
▸ LYN P07948 1/20 0.54
▸ HCK P08631 1/20 0.54
▸ SRC P12931 1/20 0.54
▸ CSK P41240 1/20 0.54
▸ PTK6 Q13882 1/20 0.54
▸ ERBB2 P04626 1/20 0.52
▸ TXK P42681 1/20 0.52
▸ BLK P51451 1/20 0.52
▸ BMX P51813 1/20 0.52
▸ ERBB4 Q15303 1/20 0.52
▸ GP6 Q9HCN6 1/20 0.52
▸ JAK3 P52333 2/20 0.47
▸ ITK Q08881 2/20 0.47

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
SCHEMBL15711182 1.00 BTK (0.56) BTKTECLCKEGFRRIPK2
SCHEMBL18285617 0.88 BTK (0.72) BTKTECEGFR
SCHEMBL18285620 0.88 BTK (0.72) BTKTECEGFR
SCHEMBL14797975 0.86 BTK (0.67) BTKTECLCKEGFRRIPK2
SCHEMBL18042993 0.85 BTK (0.69) BTK
SCHEMBL18042989 0.85 BTK (0.69) BTK
SCHEMBL18042991 0.85 BTK (0.69) BTK
SCHEMBL14797984 0.84 BTK (0.58) BTKTECLCKEGFRRIPK2
SCHEMBL14797986 0.84 BTK (0.58) BTKTECLCKEGFRRIPK2
SCHEMBL15710567 0.84 BTK (0.56) BTKTECLCKEGFRRIPK2

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-20160257686-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2016-09-08 — — US disclosed
US-20140142099-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2014-05-22 — — 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 (2 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-20140142099-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors BMX, BLK, ITK BTK 7/4885TEC 10/4885LCK 9/4885
US-20160257686-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors BMX, BLK, ITK BTK 7/4885TEC 10/4885LCK 9/4885

“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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