SCHEMBL5801946

SCHEMBL5801946

CN1CCN([C@H]2CC[C@@H](n3nc(-c4cccc(NC(=O)OC(C)(C)C)c4)c4c(N)ncnc43)CC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRC P12931 18/20 0.64
LCK P06239 17/20 0.64
TEK Q02763 17/20 0.64
KDR P35968 6/20 0.64
LIMK1 P53667 1/20 0.59
LIMK2 P53671 1/20 0.59
BTK Q06187 1/20 0.57
FYN P06241 1/20 0.57
EGFR P00533 1/20 0.54
ERBB2 P04626 1/20 0.54
IGF1R P08069 1/20 0.54
ERBB3 P21860 1/20 0.54
ERBB4 Q15303 1/20 0.54
ABL1 P00519 2/20 0.53
PTK6 Q13882 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
SCHEMBL5801943 1.00 SRC (0.64) SRCLCKTEKKDRLIMK1
SCHEMBL5786214 0.91 SRC (0.68) SRCLCKTEKKDRLIMK1
SCHEMBL6433865 0.91 SRC (0.68) SRCLCKTEKKDRLIMK1
SCHEMBL7142942 0.89 SRC (0.70) SRCLCKTEKKDRLIMK1
SCHEMBL6661900 0.88 SRC (0.50) SRCLCKTEKKDRLIMK1
SCHEMBL6434974 0.86 SRC (0.76) SRCLCKTEKKDRLIMK1
SCHEMBL4854954 0.86 SRC (0.76) SRCLCKTEKKDRLIMK1
SCHEMBL4854947 0.86 SRC (0.76) SRCLCKTEKKDRLIMK1
SCHEMBL4819139 0.86 SRC (0.64) SRCLCKTEKKDRLIMK1
SCHEMBL5802937 0.82 NUDT14 (0.65) SRCLCKTEKKDRLIMK1

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 7 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
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 (1 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-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 SRC 1834/4885LCK 1011/4885TEK 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.