SCHEMBL5804464

SCHEMBL5804464

CN1CCN(Cc2ccc(-n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 14/20 0.60
▸ NUDT14 O95848 2/20 0.60
▸ NUDT5 Q9UKK9 2/20 0.60
▸ SRC P12931 5/20 0.59
▸ LCK P06239 4/20 0.59
▸ KDR P35968 2/20 0.59
▸ TEK Q02763 2/20 0.59
▸ EGFR P00533 3/20 0.54
▸ LYN P07948 2/20 0.52
▸ PIK3CD O00329 1/20 0.51
▸ PIK3CA P42336 1/20 0.51
▸ PIK3CB P42338 1/20 0.51
▸ PIK3CG P48736 1/20 0.51
▸ PRKDC P78527 1/20 0.51
▸ YES1 P07947 1/20 0.50
▸ FGR P09769 1/20 0.50
▸ ITK Q08881 2/20 0.49
▸ JAK3 P52333 1/20 0.49
▸ FYN P06241 2/20 0.48
▸ PLK4 O00444 1/20 0.48

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
SCHEMBL6431771 0.88 BTK (0.58) BTKNUDT14NUDT5SRCLCK
SCHEMBL6435560 0.86 BTK (0.57) BTKNUDT14NUDT5SRCLCK
SCHEMBL6435580 0.86 BTK (0.58) BTKNUDT14NUDT5SRCLCK
SCHEMBL5800505 0.83 SRC (0.63) BTKNUDT14NUDT5SRCLCK
SCHEMBL25068862 0.82 NUDT14 (0.68) BTKNUDT14NUDT5SRCLCK
SCHEMBL19683638 0.81 SRC (0.49) BTKNUDT14NUDT5SRCLCK
SCHEMBL6433095 0.80 NUDT14 (0.57) BTKNUDT14NUDT5SRCLCK
SCHEMBL25068860 0.80 NUDT14 (0.64) BTKNUDT14NUDT5SRCLCK
SCHEMBL19638988 0.80 BTK (0.69) BTKNUDT14NUDT5SRCLCK
SCHEMBL31070358 0.79 SRC (0.58) BTKNUDT14NUDT5SRCLCK

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 8 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-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 42/4885NUDT14 2648/4885NUDT5 2284/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 BTK 1020/4885NUDT14 162/4885NUDT5 203/4885

“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.

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