SCHEMBL6430574

SCHEMBL6430574

CN(C)C(=O)CN1CC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.66
KIT P10721 1/20 0.66
FLT3 P36888 1/20 0.66
LCK P06239 4/20 0.65
LYN P07948 1/20 0.65
EGFR P00533 5/20 0.64
ITK Q08881 3/20 0.64
NUDT14 O95848 1/20 0.63
NUDT5 Q9UKK9 1/20 0.63

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
SCHEMBL6434693 0.89 BTK (0.64) BTKKITFLT3LCKLYN
SCHEMBL6430310 0.86 BTK (0.64) BTKKITFLT3LCKLYN
SCHEMBL7697145 0.85 BTK (0.62) BTKKITFLT3LCKLYN
SCHEMBL6645874 0.85 BTK (0.85) BTKKITFLT3LCKLYN
SCHEMBL6431679 0.85 BTK (0.61) BTKFLT3LCKLYNEGFR
SCHEMBL5802228 0.85 BTK (0.58) BTKKITFLT3LCKLYN
Acetic Acid SCHEMBL6461687 0.84 BTK (0.64) BTKKITFLT3LCKLYN
SCHEMBL5801655 0.84 BTK (0.71) BTKKITFLT3LCKLYN
SCHEMBL5803152 0.84 BTK (0.70) BTKFLT3LCKLYNEGFR
SCHEMBL7144296 0.84 BTK (0.73) 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 5 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
US-6660744-B1 Kinase inhibitors ABBOTT GMBH & CO. KG (DE) 2003-12-09 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.