SCHEMBL6430964

SCHEMBL6430964

COc1cc(-c2nn(C3CCN(Cc4cccc(C#N)c4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.84

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LCK P06239 18/20 0.84
FYN P06241 2/20 0.70
BTK Q06187 1/20 0.55
RIPK1 Q13546 1/20 0.54
SRC P12931 7/20 0.53
TEK Q02763 7/20 0.53
KDR P35968 2/20 0.50
LIMK1 P53667 1/20 0.50
LIMK2 P53671 1/20 0.50

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
SCHEMBL6430670 0.94 LCK (0.85) LCKFYNBTKRIPK1SRC
SCHEMBL6430677 0.92 LCK (0.89) LCKFYNBTKRIPK1SRC
SCHEMBL14268434 0.92 LCK (0.88) LCKFYNBTKRIPK1SRC
SCHEMBL6430474 0.92 LCK (1.00) LCKFYNBTKRIPK1SRC
SCHEMBL6435233 0.89 LCK (0.90) LCKFYNBTKRIPK1SRC
SCHEMBL6431663 0.89 LCK (0.81) LCKFYNBTKSRCTEK
SCHEMBL6433956 0.89 LCK (0.87) LCKFYNBTKRIPK1SRC
SCHEMBL6430648 0.89 LCK (0.89) LCKFYNBTKRIPK1SRC
SCHEMBL6434171 0.89 LCK (0.89) LCKFYNBTKRIPK1SRC
SCHEMBL4826601 0.89 LCK (0.82) LCKFYNBTKRIPK1SRC

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 2 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-20050008640-A1 Method of treating transplant rejection ABBOTT LABORATORIES 2005-01-13 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-20050008640-A1 Method of treating transplant rejection LCK, ZAP70, FYN LCK 1/4885FYN 3/4885BTK 42/4885

“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.