SCHEMBL5821828

SCHEMBL5821828

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CN(CC2(O)CCNCC2)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.61
LCK P06239 3/20 0.61
LYN P07948 2/20 0.61
NUDT14 O95848 2/20 0.58
NUDT5 Q9UKK9 2/20 0.58
SRC P12931 2/20 0.55
KDR P35968 2/20 0.55
TEK Q02763 1/20 0.55
EGFR P00533 3/20 0.54
TEC P42680 2/20 0.53
TXK P42681 2/20 0.53
BMX P51813 2/20 0.53
RIPK2 O43353 1/20 0.53
NR1I2 O75469 1/20 0.53
SLC22A3 O75751 1/20 0.53
LATS1 O95835 1/20 0.53
ABL1 P00519 1/20 0.53
ERBB2 P04626 1/20 0.53
FYN P06241 1/20 0.53
PGR P06401 1/20 0.53

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
SCHEMBL30416459 0.90 BTK (0.61) BTKLCKLYNNUDT14NUDT5
SCHEMBL6430366 0.89 BTK (0.69) BTKLCKLYNNUDT14NUDT5
SCHEMBL7140005 0.88 BTK (0.66) BTKLCKLYNNUDT14NUDT5
SCHEMBL5821832 0.87 BTK (0.46) BTKLCKLYNNUDT14NUDT5
SCHEMBL24196933 0.84 BTK (0.61) BTKLCKLYNNUDT14NUDT5
SCHEMBL15160873 0.83 BTK (0.69) BTKLCKLYNNUDT14NUDT5
SCHEMBL5800914 0.83 BTK (0.60) BTKLCKLYNNUDT14NUDT5
SCHEMBL6431386 0.83 BTK (0.74) BTKLCKLYNNUDT14NUDT5
SCHEMBL6431394 0.83 BTK (0.74) BTKLCKLYNNUDT14NUDT5
SCHEMBL6431380 0.83 BTK (0.74) BTKLCKLYNNUDT14NUDT5

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 10 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
CN-1520298-A Pyrazolopyrimidines as therapeutic agents �����ʩ���عɷݹ�˾ 2004-08-11 CN 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
CN-1390219-A Pyrazolopyrimidines as therapeutic agents ABBOTT AG (DE) 2003-01-08 CN 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 42/4885LCK 1/4885LYN 72/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 BTK 1020/4885LCK 1011/4885LYN 1034/4885

“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.