SCHEMBL22002211

SCHEMBL22002211

C=CCN1CCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.71
▸ NUDT14 O95848 2/20 0.68
▸ NUDT5 Q9UKK9 2/20 0.68
▸ EGFR P00533 5/20 0.68
▸ LYN P07948 4/20 0.67
▸ LCK P06239 4/20 0.67
▸ TEC P42680 4/20 0.66
▸ BMX P51813 4/20 0.66
▸ ITK Q08881 3/20 0.66
▸ SRC P12931 3/20 0.66
▸ BLK P51451 3/20 0.66
▸ TXK P42681 2/20 0.66
▸ FGFR2 P21802 2/20 0.66
▸ KDR P35968 2/20 0.66
▸ ABL1 P00519 2/20 0.66
▸ ERBB2 P04626 2/20 0.66
▸ FYN P06241 2/20 0.66
▸ YES1 P07947 2/20 0.66
▸ HCK P08631 2/20 0.66
▸ FGR P09769 2/20 0.66

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
SCHEMBL18131947 0.95 BTK (0.71) BTKNUDT14NUDT5EGFRLYN
SCHEMBL18476813 0.95 BTK (0.71) BTKNUDT14NUDT5EGFRLYN
SCHEMBL19649363 0.88 BTK (0.75) BTKNUDT14NUDT5EGFRLYN
SCHEMBL17065707 0.88 BTK (0.65) BTKNUDT14NUDT5EGFRLYN
SCHEMBL19696798 0.86 BTK (0.63) BTKNUDT14NUDT5EGFRLYN
SCHEMBL19697449 0.85 BTK (0.68) BTKNUDT14NUDT5EGFRLYN
SCHEMBL22625584 0.85 BTK (0.68) BTKNUDT14NUDT5EGFRLYN
SCHEMBL22720988 0.84 BTK (0.80) BTKNUDT14NUDT5EGFRLYN
SCHEMBL19696813 0.84 BTK (0.62) BTKNUDT14NUDT5EGFRLYN
SCHEMBL4910818 0.84 BTK (0.79) BTKNUDT14NUDT5EGFRLYN

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-10653696-B2 Use of inhibitors of bruton's tyrosine kinase (BTK) PHARMACYCLICS LLC (US) 2020-05-19 — — 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-10653696-B2 Use of inhibitors of bruton's tyrosine kinase (BTK) BTK, SYK, LYN BTK 1/4885NUDT14 2579/4885NUDT5 2929/4885

“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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