SCHEMBL5813018

SCHEMBL5813018

COc1cc(-c2nn(C3CCC(N4CCN(C)CC4)CC3)c3ncnc(N)c23)c(F)cc1NC(=O)O

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LCK P06239 19/20 0.64
SRC P12931 17/20 0.64
TEK Q02763 17/20 0.64
KDR P35968 5/20 0.63
LIMK1 P53667 1/20 0.60
LIMK2 P53671 1/20 0.60
FYN P06241 2/20 0.57
BTK Q06187 1/20 0.52
EIF2AK3 Q9NZJ5 1/20 0.51

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
SCHEMBL6430413 0.90 SRC (0.58) LCKSRCTEKKDRLIMK1
SCHEMBL6430412 0.90 SRC (0.58) LCKSRCTEKKDRLIMK1
SCHEMBL6435593 0.89 LCK (0.71) LCKSRCTEKKDRLIMK1
SCHEMBL6430357 0.89 LCK (0.71) LCKSRCTEKKDRLIMK1
SCHEMBL6430361 0.89 LCK (0.71) LCKSRCTEKKDRLIMK1
SCHEMBL5813030 0.88 LCK (0.51) LCKSRCTEKKDRLIMK1
SCHEMBL4824923 0.87 LCK (0.80) LCKSRCTEKKDRLIMK1
SCHEMBL4824918 0.87 LCK (0.80) LCKSRCTEKKDRLIMK1
SCHEMBL4825869 0.87 SRC (0.57) LCKSRCTEKKDRLIMK1
SCHEMBL4825878 0.87 SRC (0.57) LCKSRCTEKKDRLIMK1

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 LCK 1/4885SRC 46/4885TEK 1465/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 LCK 1011/4885SRC 1834/4885TEK 1657/4885

“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.