SCHEMBL6521795

SCHEMBL6521795

Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(-c3cccnc3)cc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 11/20 0.66
KCNH2 Q12809 2/20 0.54
AURKA O14965 2/20 0.46
KDR P35968 2/20 0.46
AURKB Q96GD4 2/20 0.46
DAPK3 O43293 1/20 0.46
JAK2 O60674 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
PAK4 O96013 1/20 0.46
ABL1 P00519 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
CSF1R P07333 1/20 0.46
RET P07949 1/20 0.46
IGF1R P08069 1/20 0.46
MET P08581 1/20 0.46
PDGFRB P09619 1/20 0.46
PIM1 P11309 1/20 0.46
FGFR1 P11362 1/20 0.46

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
SCHEMBL6517959 0.88 CHEK1 (0.71) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6517977 0.85 CHEK1 (0.64) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6510260 0.83 CHEK1 (0.68) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6510958 0.83 CHEK1 (0.68) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6518248 0.82 CHEK1 (0.67) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6510579 0.82 CHEK1 (0.80) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6512695 0.81 CHEK1 (0.78) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6515391 0.80 CHEK1 (0.77) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6517703 0.80 CHEK1 (1.00) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6517619 0.80 CHEK1 (0.77) CHEK1KCNH2AURKAKDRAURKB

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-20050245563-A1 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-03 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-20050245563-A1 Chk-1 inhibitors CHKA, CHKB, CHEK1 CHEK1 3/4885KCNH2 3052/4885AURKA 78/4885

“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.