SCHEMBL18645941

SCHEMBL18645941

C=CC(=O)N[C@H]1C[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.86
EGFR P00533 9/20 0.86
LCK P06239 7/20 0.86
ITK Q08881 6/20 0.86
TEC P42680 4/20 0.86
BMX P51813 4/20 0.86
LYN P07948 4/20 0.86
JAK3 P52333 3/20 0.86
ABL1 P00519 2/20 0.86
ERBB2 P04626 2/20 0.86
FYN P06241 2/20 0.86
YES1 P07947 2/20 0.86
HCK P08631 2/20 0.86
FGR P09769 2/20 0.86
SRC P12931 2/20 0.86
FER P16591 2/20 0.86
CSK P41240 2/20 0.86
BLK P51451 2/20 0.86
PTK6 Q13882 2/20 0.86
ERBB4 Q15303 2/20 0.86

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
SCHEMBL17065693 0.96 BTK (0.82) BTKEGFRLCKITKTEC
SCHEMBL201745 0.92 BTK (1.00) BTKEGFRLCKITKTEC
SCHEMBL201744 0.92 BTK (1.00) BTKEGFRLCKITKTEC
SCHEMBL460731 0.92 BTK (1.00) BTKEGFRLCKITKTEC
SCHEMBL793463 0.92 BTK (1.00) BTKEGFRLCKITKTEC
SCHEMBL18645928 0.88 BTK (0.80) BTKEGFRLCKITKTEC
SCHEMBL18646602 0.87 BTK (0.67) BTKEGFRLCKITKTEC
SCHEMBL22902588 0.87 BTK (0.66) BTKEGFRLCKITKTEC
SCHEMBL22902521 0.87 BTK (0.66) BTKEGFRLCKITKTEC
SCHEMBL22902640 0.86 BTK (0.64) BTKEGFRLCKITKTEC

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-20200247808-A1 Heterocyclic Tec-Family Kinase Inhibitors GB005, INC. 2020-08-06 US disclosed
WO-2017041180-A1 HETEROCYCLIC TEC-FAMILY KINASE INHIBITORS PHARMASCIENCE INC. (CA) 2017-03-16 WO 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-20200247808-A1 Heterocyclic Tec-Family Kinase Inhibitors TEC, BTK, LCK BTK 2/4885EGFR 267/4885LCK 3/4885

“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.