SCHEMBL15314505

SCHEMBL15314505

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

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 19/20 0.67
▸ KIT P10721 1/20 0.65
▸ FLT3 P36888 1/20 0.65
▸ LCK P06239 4/20 0.64
▸ LYN P07948 1/20 0.64
▸ EGFR P00533 3/20 0.63
▸ NUDT14 O95848 1/20 0.63
▸ NUDT5 Q9UKK9 1/20 0.63
▸ ITK Q08881 2/20 0.62
▸ SRC P12931 1/20 0.61
▸ KDR P35968 1/20 0.61
▸ TEK Q02763 1/20 0.61

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
SCHEMBL12712643 0.91 BTK (0.63) BTKKITFLT3LCKLYN
SCHEMBL12712648 0.90 BTK (0.65) BTKKITFLT3LCKLYN
SCHEMBL19519304 0.87 BTK (0.78) BTKKITFLT3LCKEGFR
SCHEMBL15314506 0.87 BTK (0.66) BTKFLT3LCKLYNEGFR
SCHEMBL11948322 0.86 BTK (0.86) BTKKITFLT3LCKLYN
SCHEMBL17951503 0.86 BTK (0.86) BTKKITFLT3LCKLYN
SCHEMBL25118714 0.85 BTK (0.75) BTKKITFLT3LCKLYN
SCHEMBL1613229 0.84 BTK (0.66) BTKKITFLT3LCKLYN
SCHEMBL30144690 0.83 BTK (0.78) BTKFLT3LCKLYNEGFR
SCHEMBL25075213 0.83 BTK (0.78) BTKFLT3LCKLYNEGFR

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 3 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-20140080844-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2014-03-20 — — US disclosed
EP-2650294-A1 Inhibitors of Bruton's Tyrosine Kinase Pharmacyclics, Inc. (US) 2013-10-16 — — EP 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-20140080844-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 BTK 2/4885KIT 692/4885FLT3 139/4885

“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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