SCHEMBL16375290

SCHEMBL16375290

C=CC(=O)N1CCCC2(C1)CC1(CCC(n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC1)C2

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 17/20 0.76
EGFR P00533 7/20 0.75
TEC P42680 4/20 0.73
BMX P51813 4/20 0.73
LYN P07948 3/20 0.73
ITK Q08881 3/20 0.73
TXK P42681 2/20 0.73
FGFR2 P21802 2/20 0.73
ABL1 P00519 2/20 0.73
ERBB2 P04626 2/20 0.73
LCK P06239 2/20 0.73
FYN P06241 2/20 0.73
YES1 P07947 2/20 0.73
HCK P08631 2/20 0.73
FGR P09769 2/20 0.73
SRC P12931 2/20 0.73
FER P16591 2/20 0.73
CSK P41240 2/20 0.73
BLK P51451 2/20 0.73
JAK3 P52333 2/20 0.73

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
SCHEMBL15155348 0.92 BTK (0.85) BTKEGFRTECBMXLYN
SCHEMBL15155363 0.91 BTK (0.91) BTKEGFRTECBMXLYN
SCHEMBL16075019 0.86 BTK (1.00) BTKEGFRTECBMXLYN
SCHEMBL202187 0.86 BTK (1.00) BTKEGFRTECBMXLYN
SCHEMBL15155117 0.85 BTK (1.00) BTKEGFRTECBMXLYN
Ibrutinib SCHEMBL201642 0.85 BTK (1.00) BTKEGFRTECBMXLYN
Ibrutinib SCHEMBL2244870 0.85 BTK (1.00) BTKEGFRTECBMXLYN
Ibrutinib SCHEMBL201859 0.85 BTK (1.00) BTKEGFRTECBMXLYN
Ibrutinib SCHEMBL2244865 0.85 BTK (1.00) BTKEGFRTECBMXLYN
Ibrutinib SCHEMBL201641 0.85 BTK (1.00) BTKEGFRTECBMXLYN

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-9458162-B2 Cyclic molecules as bruton's tyrosine kinase inhibitors NANJING ALLGEN PHARMA CO. LTD. (CN) 2016-10-04 US disclosed
US-9458162-B2 Cyclic molecules as bruton's tyrosine kinase inhibitors NANJING ALLGEN PHARMA CO. LTD. (CN) 2016-10-04 US disclosed
US-20150011530-A1 CYCLIC MOLECULES AS BRUTON'S TYROSINE KINASE INHIBITORS GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2015-01-08 US disclosed
US-20150011530-A1 CYCLIC MOLECULES AS BRUTON'S TYROSINE KINASE INHIBITORS GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2015-01-08 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-20150011530-A1 CYCLIC MOLECULES AS BRUTON'S TYROSINE KINASE INHIBITORS ABL1, BTK, PRKACA BTK 2/4885EGFR 802/4885TEC 323/4885

“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.