SCHEMBL6419563

SCHEMBL6419563

CC(C)(O)Cn1c(N)nc2cc(N3CCCC3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 3/20 0.43
EGFR P00533 3/20 0.41
SIRT2 Q8IXJ6 3/20 0.40
SIRT1 Q96EB6 2/20 0.40
NTRK1 P04629 1/20 0.38
CSF1R P07333 1/20 0.38
NTRK2 Q16620 1/20 0.38
TLR8 Q9NR97 1/20 0.38
NUDT1 P36639 1/20 0.38
BACE1 P56817 1/20 0.38
CNR2 P34972 2/20 0.38
SIRT3 Q9NTG7 1/20 0.37
IP6K1 Q92551 1/20 0.37
PRKDC P78527 1/20 0.37
MAP4K4 O95819 1/20 0.36
S100B P04271 2/20 0.36
GRM2 Q14416 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL21310875 0.99 TERT (0.44) TERTEGFRSIRT2SIRT1NTRK1
SCHEMBL21311084 0.90 EGFR (0.50) EGFRNTRK1CSF1RNTRK2TLR8
SCHEMBL21310873 0.87 EGFR (0.53) EGFRNTRK1CSF1RNTRK2TLR8
SCHEMBL21310884 0.83 PIM2 (0.38) EGFRSIRT2SIRT1NTRK1CSF1R
SCHEMBL6419560 0.83 EGFR (0.43) TERTEGFRSIRT2SIRT1CNR2
SCHEMBL24172531 0.82 EGFR (0.43) EGFRNTRK1CSF1RNTRK2BACE1
SCHEMBL21310888 0.82 CNR2 (0.41) EGFRNTRK1CSF1RNTRK2TLR8
SCHEMBL21310882 0.81 PRKCQ (0.39) EGFRCNR2
SCHEMBL6420487 0.81 KDM4E (0.50) TLR8NUDT1BACE1CNR2ALDH1A1
SCHEMBL21310819 0.80 TLR8 (0.58) EGFRTLR8NUDT1BACE1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050209284-A1 Tec kinase inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-22 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-20050209284-A1 Tec kinase inhibitors TEC, ITK, TXK TERT 534/4885EGFR 967/4885SIRT2 1733/4885

“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.