SCHEMBL29989704

SCHEMBL29989704

COc1cc(C(=O)O)ccc1Nc1ncc(C(F)(F)F)c(NCCCN2CCCCC2=O)n1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 5/20 0.63
LRRK2 Q5S007 14/20 0.58
TTK P33981 1/20 0.52
ULK1 O75385 1/20 0.52
ULK2 Q8IYT8 1/20 0.52

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
SCHEMBL27087778 1.00 PTK2 (0.63) PTK2LRRK2TTKULK1ULK2
SCHEMBL27403030 0.93 PTK2 (0.61) PTK2LRRK2TTK
SCHEMBL27403034 0.92 PTK2 (0.69) PTK2LRRK2
SCHEMBL27403041 0.92 PTK2 (0.57) PTK2LRRK2TTKULK1ULK2
SCHEMBL30940257 0.91 LRRK2 (0.64) PTK2LRRK2TTKULK1ULK2
SCHEMBL27403039 0.91 LRRK2 (0.64) PTK2LRRK2TTKULK1ULK2
SCHEMBL29989274 0.90 PTK2 (0.66) PTK2LRRK2
SCHEMBL27087805 0.90 PTK2 (0.66) PTK2LRRK2
SCHEMBL29989835 0.90 LRRK2 (0.72) LRRK2TTK
SCHEMBL27403032 0.90 LRRK2 (0.72) LRRK2TTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208934-A1 ULK1/2 INHIBITORS AND THEIR USE THEREOF LIFEARC (GB) 2024-06-27 US disclosed
EP-4320121-A2 2,4-DIAMINOPYRIMIDINE DERIVATIVES AS ULK1/2 INHIBITORS AND THEIR USE THEREOF LifeArc (GB) 2024-02-14 EP disclosed
WO-2022214869-A2 ULK1/2 INHIBITORS AND THEIR USE THEREOF LIFEARC (GB) 2022-10-13 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-20240208934-A1 ULK1/2 INHIBITORS AND THEIR USE THEREOF ULK1, ULK2, ULK3 PTK2 1096/4885LRRK2 827/4885TTK 15/4885

“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.