SCHEMBL12712648

SCHEMBL12712648

CCC(O)C(=O)N1CC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)CCC1O

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.65
▸ LCK P06239 1/20 0.59
▸ LYN P07948 1/20 0.59
▸ KIT P10721 1/20 0.59
▸ FLT3 P36888 1/20 0.59

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
SCHEMBL15314506 0.93 BTK (0.66) BTKLCKLYNFLT3
SCHEMBL15314505 0.90 BTK (0.67) BTKLCKLYNKITFLT3
SCHEMBL13308556 0.88 BTK (0.76) BTKLCKKITFLT3
SCHEMBL13337309 0.86 BTK (0.84) BTKLCKLYNKITFLT3
SCHEMBL12712643 0.86 BTK (0.63) BTKLCKLYNKITFLT3
SCHEMBL3361369 0.80 BTK (0.78) BTKKITFLT3
SCHEMBL3361363 0.80 BTK (0.78) BTKKITFLT3
SCHEMBL3366857 0.80 BTK (0.91) BTKLCKKITFLT3
SCHEMBL17951514 0.80 BTK (0.81) BTKLCKLYNKITFLT3
SCHEMBL19649312 0.80 BTK (0.81) BTKLCKLYNKITFLT3

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-9012463-B2 Inhibitors of bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2015-04-21 — — US disclosed
US-20110086866-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2011-04-14 — — 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-20110086866-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 BTK 2/4885LCK 19/4885LYN 6/4885

“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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