SCHEMBL5803102

SCHEMBL5803102

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCOCC1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 17/20 0.82
LCK P06239 8/20 0.82
LYN P07948 2/20 0.82
NUDT14 O95848 2/20 0.76
NUDT5 Q9UKK9 2/20 0.76
SRC P12931 4/20 0.71
TEK Q02763 3/20 0.71
KDR P35968 1/20 0.71
EGFR P00533 5/20 0.67
ITK Q08881 3/20 0.66
HCK P08631 2/20 0.66
ABL1 P00519 1/20 0.65
ERBB2 P04626 1/20 0.65
FYN P06241 1/20 0.65
YES1 P07947 1/20 0.65
FGR P09769 1/20 0.65
FER P16591 1/20 0.65
CSK P41240 1/20 0.65
TEC P42680 1/20 0.65
BLK P51451 1/20 0.65

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
SCHEMBL30586962 0.90 BTK (1.00) BTKLCKLYNNUDT14NUDT5
SCHEMBL6431516 0.90 BTK (1.00) BTKLCKLYNNUDT14NUDT5
SCHEMBL15613699 0.89 BTK (0.67) BTKLCKLYNNUDT14NUDT5
SCHEMBL17713980 0.89 BTK (0.98) BTKLCKLYNNUDT14NUDT5
SCHEMBL2631407 0.88 BTK (0.84) BTKLCKLYNNUDT14NUDT5
SCHEMBL15915382 0.88 BTK (0.84) BTKLCKLYNNUDT14NUDT5
SCHEMBL7001715 0.88 BTK (0.82) BTKLCKLYNNUDT14NUDT5
SCHEMBL22243244 0.88 BTK (0.82) BTKLCKLYNNUDT14NUDT5
SCHEMBL22243281 0.88 BTK (0.82) BTKLCKLYNNUDT14NUDT5
SCHEMBL5801169 0.88 BTK (0.82) 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 11 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
EP-1212327-B8 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2004-02-25 EP 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
EP-1212327-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-06-12 EP disclosed
WO-2001019829-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-22 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.