SCHEMBL20223313

SCHEMBL20223313

C=CC(O)N1CCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.72
▸ EGFR P00533 5/20 0.69
▸ TEC P42680 4/20 0.68
▸ BMX P51813 4/20 0.68
▸ LYN P07948 4/20 0.68
▸ ITK Q08881 3/20 0.68
▸ LCK P06239 3/20 0.68
▸ BLK P51451 3/20 0.68
▸ TXK P42681 2/20 0.68
▸ FGFR2 P21802 2/20 0.68
▸ NUDT14 O95848 2/20 0.68
▸ NUDT5 Q9UKK9 2/20 0.68
▸ ABL1 P00519 2/20 0.68
▸ ERBB2 P04626 2/20 0.68
▸ FYN P06241 2/20 0.68
▸ YES1 P07947 2/20 0.68
▸ HCK P08631 2/20 0.68
▸ FGR P09769 2/20 0.68
▸ SRC P12931 2/20 0.68
▸ FER P16591 2/20 0.68

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
SCHEMBL18493108 0.95 BTK (0.73) BTKEGFRTECBMXLYN
SCHEMBL21398244 0.95 BTK (0.73) BTKEGFRTECBMXLYN
SCHEMBL25069063 0.88 BTK (0.75) BTKEGFRLYNITKLCK
SCHEMBL19519589 0.85 BTK (0.71) BTKEGFRTECBMXLYN
SCHEMBL19176281 0.85 BTK (0.62) BTKEGFRTECBMXLYN
SCHEMBL200392 0.84 BTK (1.00) BTKEGFRTECBMXLYN
SCHEMBL201548 0.84 BTK (1.00) BTKEGFRTECBMXLYN
SCHEMBL200391 0.84 BTK (1.00) BTKEGFRTECBMXLYN
SCHEMBL24827785 0.84 BTK (0.80) BTKEGFRTECBMXLYN
SCHEMBL22002211 0.83 BTK (0.71) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10226466-B2 Methods of treating fibrosis PHARMACYCLICS LLC (US) 2019-03-12 — — US disclosed
US-20180153896-A1 METHODS OF TREATING FIBROSIS PHARMACYCLICS LLC 2018-06-07 — — 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-10226466-B2 Methods of treating fibrosis MYLK, MMP1, MMP8 BTK 18/4885EGFR 1613/4885TEC 813/4885
US-20180153896-A1 METHODS OF TREATING FIBROSIS MYLK, MMP1, MMP8 BTK 18/4885EGFR 1613/4885TEC 813/4885

“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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