SCHEMBL6432032

SCHEMBL6432032

COc1cc(-c2nn(C3CCN(C4CCN(C)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)C[C@@H](C)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LCK P06239 20/20 0.72
SRC P12931 13/20 0.72
TEK Q02763 12/20 0.72
KDR P35968 3/20 0.70
LIMK1 P53667 1/20 0.68
LIMK2 P53671 1/20 0.68
FYN P06241 2/20 0.64

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
SCHEMBL6430377 1.00 LCK (0.72) LCKSRCTEKKDRLIMK1
SCHEMBL6435369 0.96 LCK (0.78) LCKSRCTEKKDRLIMK1
SCHEMBL6430504 0.96 LCK (0.78) LCKSRCTEKKDRLIMK1
SCHEMBL6430971 0.96 LCK (0.78) LCKSRCTEKKDRLIMK1
SCHEMBL6434204 0.89 LCK (0.61) LCKSRCTEKKDRLIMK1
SCHEMBL6430623 0.88 LCK (0.92) LCKSRCTEKKDRLIMK1
SCHEMBL5787000 0.87 LCK (0.77) LCKSRCTEKKDRLIMK1
SCHEMBL7136231 0.85 LCK (0.86) LCKSRCTEKKDRLIMK1
SCHEMBL4826465 0.84 LCK (0.74) LCKSRCTEKKDRLIMK1
SCHEMBL6432631 0.84 LCK (0.82) 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 5 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
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 (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.