SCHEMBL20480733

SCHEMBL20480733

Nc1ncnc2c1[nH]c(=O)n2C1CCN(C(=O)O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 12/20 0.42
▸ LCK P06239 3/20 0.41
▸ TEC P42680 3/20 0.41
▸ ERBB2 P04626 1/20 0.41
▸ TXK P42681 1/20 0.41
▸ BLK P51451 1/20 0.41
▸ BMX P51813 1/20 0.41
▸ ERBB4 Q15303 1/20 0.41
▸ GP6 Q9HCN6 1/20 0.41
▸ TLR7 Q9NYK1 1/20 0.40
▸ EGFR P00533 3/20 0.39
▸ SRC P12931 2/20 0.39
▸ JAK2 O60674 3/20 0.38
▸ JAK3 P52333 3/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ RIPK2 O43353 1/20 0.37
▸ FYN P06241 1/20 0.37
▸ YES1 P07947 1/20 0.37
▸ LYN P07948 1/20 0.37
▸ HCK P08631 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
SCHEMBL16143478 1.00 BTK (0.42) BTKLCKTECERBB2TXK
SCHEMBL15156546 0.93 EGFR (0.44) BTKLCKTECEGFRSRC
SCHEMBL19209529 0.93 TLR7 (0.41) BTKLCKTECERBB2TXK
SCHEMBL18618395 0.85 BTK (0.55) BTKLCKTECERBB2TXK
SCHEMBL15145742 0.84 SRC (0.55) EGFRSRC
SCHEMBL15156055 0.84 SRC (0.55) EGFRSRC
SCHEMBL23803929 0.79 ADORA3 (0.49) LCKTLR7EGFRSRCFYN
SCHEMBL28881338 0.79 SRC (0.50) EGFRSRC
SCHEMBL28117979 0.78 TLR7 (0.45) BTKLCKTLR7EGFRSRC
SCHEMBL16321781 0.78 SRC (0.49) BTKTECEGFRSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180243311-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE GILEAD SCIENCES, INC. 2018-08-30 — — 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-20180243311-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, ABL1, LYN BTK 1/4885LCK 5/4885TEC 29/4885

“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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