SCHEMBL6430186

SCHEMBL6430186

CN(C)CCN(C)CC(=O)N1CC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.74
KIT P10721 1/20 0.74
FLT3 P36888 1/20 0.74
EGFR P00533 5/20 0.63
LCK P06239 2/20 0.63
ITK Q08881 2/20 0.63
NUDT14 O95848 1/20 0.60
NUDT5 Q9UKK9 1/20 0.60

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
SCHEMBL7136201 0.95 BTK (0.68) BTKKITFLT3EGFRLCK
SCHEMBL6645874 0.93 BTK (0.85) BTKKITFLT3EGFRLCK
Acetic Acid SCHEMBL5819970 0.91 BTK (0.82) BTKKITFLT3EGFRLCK
SCHEMBL17951520 0.87 BTK (0.92) BTKKITFLT3EGFRLCK
SCHEMBL6438133 0.87 BTK (0.73) BTKKITFLT3EGFRLCK
Acetic Acid SCHEMBL6430451 0.86 BTK (0.66) BTKKITFLT3EGFRLCK
SCHEMBL7144296 0.85 BTK (0.73) BTKFLT3EGFRLCKITK
SCHEMBL6430256 0.85 BTK (0.69) BTKKITFLT3EGFRLCK
SCHEMBL30615720 0.85 BTK (0.84) BTKKITFLT3EGFRLCK
SCHEMBL5823164 0.85 BTK (0.84) BTKKITFLT3EGFRLCK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6921763-B2 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2005-07-26 US disclosed
US-20050008640-A1 Method of treating transplant rejection ABBOTT LABORATORIES 2005-01-13 US disclosed
EP-1212327-B1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AG (DE) 2003-08-20 EP disclosed
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2002-10-24 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-20050008640-A1 Method of treating transplant rejection LCK, ZAP70, FYN BTK 42/4885KIT 330/4885FLT3 335/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 BTK 1020/4885KIT 445/4885FLT3 67/4885

“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.