SCHEMBL5800914

SCHEMBL5800914

CC(C)(C)OC(=O)N1CCC(O)(CN2CC(n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)C2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.60
FLT3 P36888 2/20 0.56
KIT P10721 1/20 0.56
EGFR P00533 4/20 0.55
LCK P06239 2/20 0.55
ITK Q08881 2/20 0.55
NUDT14 O95848 2/20 0.55
NUDT5 Q9UKK9 2/20 0.55
TEC P42680 2/20 0.54
TXK P42681 2/20 0.54
BMX P51813 2/20 0.54
RIPK2 O43353 1/20 0.54
NR1I2 O75469 1/20 0.54
SLC22A3 O75751 1/20 0.54
LATS1 O95835 1/20 0.54
ABL1 P00519 1/20 0.54
ERBB2 P04626 1/20 0.54
FYN P06241 1/20 0.54
PGR P06401 1/20 0.54
CSF1R P07333 1/20 0.54

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
SCHEMBL7140005 0.90 BTK (0.66) BTKFLT3KITEGFRLCK
SCHEMBL6430366 0.87 BTK (0.69) BTKFLT3KITEGFRLCK
SCHEMBL24196934 0.87 BTK (0.57) BTKFLT3KITEGFRLCK
SCHEMBL29671211 0.87 BTK (0.70) BTKFLT3KITEGFRLCK
SCHEMBL5801638 0.87 BTK (0.70) BTKFLT3KITEGFRLCK
SCHEMBL15155196 0.87 BTK (0.72) BTKEGFRLCKNUDT14NUDT5
SCHEMBL30415841 0.87 BTK (0.72) BTKEGFRLCKNUDT14NUDT5
SCHEMBL17951556 0.86 BTK (0.73) BTKFLT3KITEGFRLCK
SCHEMBL18123564 0.84 BTK (0.74) BTKFLT3KITEGFRLCK
SCHEMBL6435573 0.84 BTK (0.74) BTKFLT3KITEGFRLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385524-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2006-02-01 EP disclosed
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
WO-2004100868-A2 METHOD OF TREATING TRANSPLANT REJECTION ABBOTT LABORATORIES (US) 2004-11-25 WO disclosed
EP-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 EP 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
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 WO 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 42/4885FLT3 335/4885KIT 330/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 BTK 1020/4885FLT3 67/4885KIT 445/4885

“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.