SCHEMBL6434044

SCHEMBL6434044

CN1CCN([C@H]2CC[C@@H](n3nc(-c4ccc(NCc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LCK P06239 13/20 0.79
SRC P12931 13/20 0.79
TEK Q02763 13/20 0.79
KDR P35968 5/20 0.79
BTK Q06187 2/20 0.71
EGFR P00533 5/20 0.65
ERBB2 P04626 5/20 0.65
IGF1R P08069 5/20 0.65
ERBB3 P21860 5/20 0.65
ERBB4 Q15303 5/20 0.65
LIMK1 P53667 1/20 0.60
LIMK2 P53671 1/20 0.60
NUDT14 O95848 2/20 0.60
NUDT5 Q9UKK9 2/20 0.60

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
SCHEMBL6432739 1.00 LCK (0.79) LCKSRCTEKKDRBTK
SCHEMBL6432743 1.00 LCK (0.79) LCKSRCTEKKDRBTK
SCHEMBL6430197 0.92 LCK (0.77) LCKSRCTEKKDRBTK
SCHEMBL6430193 0.92 LCK (0.77) LCKSRCTEKKDRBTK
Acetic Acid SCHEMBL6431451 0.91 SRC (0.66) LCKSRCTEKKDRBTK
SCHEMBL6467920 0.91 LCK (0.68) LCKSRCTEKKDRBTK
SCHEMBL6467917 0.91 LCK (0.68) LCKSRCTEKKDRBTK
SCHEMBL6464327 0.91 LCK (0.75) LCKSRCTEKKDRBTK
SCHEMBL6464325 0.91 LCK (0.75) LCKSRCTEKKDRBTK
SCHEMBL6430283 0.90 LCK (0.74) LCKSRCTEKKDRBTK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6921763-B2 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2005-07-26 US 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

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 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.