SCHEMBL4856932

SCHEMBL4856932

Cc1cc(NC2=CC3=C(CNc4cc(C(C)(C)C(=O)Nc5ccc(N6CCOCC6)cc5)ccc4N3)C(=O)C2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.46
IKBKB O14920 1/20 0.46
DGAT1 O75907 1/20 0.38
PSEN1 P49768 5/20 0.37
PSEN2 P49810 5/20 0.37
APH1B Q8WW43 5/20 0.37
NCSTN Q92542 5/20 0.37
APH1A Q96BI3 5/20 0.37
PSENEN Q9NZ42 5/20 0.37
MAPT P10636 7/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
MAPK10 P53779 2/20 0.36
LMNA P02545 2/20 0.36
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL4880716 0.93 CHEK1 (0.45) CHEK1IKBKBDGAT1MAPTSMN1; SMN2
SCHEMBL4851814 0.83 CHEK1 (0.33) CHEK1MAPK1
SCHEMBL4849487 0.80 CHEK1 (0.64) CHEK1IKBKBDGAT1PSEN1PSEN2
SCHEMBL5450351 0.72 CHEK1 (0.63) CHEK1IKBKBDGAT1MAPTMAPK10
SCHEMBL4886321 0.69 CHEK1 (0.63) CHEK1IKBKBDGAT1MAPTMAPK10
SCHEMBL4891936 0.67 CHEK1 (0.65) CHEK1IKBKBDGAT1MAPTSMN1; SMN2
SCHEMBL4889329 0.67 CHEK1 (0.66) CHEK1IKBKBDGAT1MAPK1
SCHEMBL4881049 0.67 CHEK1 (0.71) CHEK1IKBKBDGAT1MAPTSMN1; SMN2
SCHEMBL4888868 0.65 CHEK1 (0.72) CHEK1IKBKBDGAT1MAPK1
SCHEMBL4883979 0.65 CHEK1 (0.61) CHEK1IKBKBDGAT1MAPTMAPK10

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-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 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-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CHEK1 38/4885IKBKB 358/4885DGAT1 2853/4885

“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.