SCHEMBL4557429

SCHEMBL4557429

Cc1cnc(NC(=O)Nc2ccc(C(N)=O)c(OCc3cccnc3)c2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
CHEK1 O14757 3/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PARP1 P09874 1/20 0.44
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
LRRK2 Q5S007 2/20 0.43
NAMPT P43490 1/20 0.43
KLK8 O60259 1/20 0.43
F2 P00734 1/20 0.43
KLKB1 P03952 1/20 0.43
KLK1 P06870 1/20 0.43
KLK14 Q9P0G3 1/20 0.43
KLK5 Q9Y337 1/20 0.43
ST14 Q9Y5Y6 1/20 0.43
MET P08581 2/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL4565054 0.91 L3MBTL1 (0.50) L3MBTL1CHEK1CYP11B1CYP11B2MEN1
SCHEMBL2035693 0.81 BRD4 (0.53) L3MBTL1CHEK1MEN1KMT2AMKNK1
SCHEMBL2034828 0.79 KDM4E (0.55) CHEK1MEN1KMT2ALRRK2NAMPT
SCHEMBL2035648 0.77 CHEK1 (0.54) CHEK1MEN1KMT2ALRRK2NAMPT
SCHEMBL2037216 0.77 CHEK1 (0.51) CHEK1MEN1KMT2ALRRK2NAMPT
SCHEMBL2035402 0.77 CHEK1 (0.51) CHEK1MEN1KMT2ALRRK2PPIA
SCHEMBL5163297 0.76 CHEK1 (0.51) CHEK1MEN1KMT2ALRRK2NAMPT
SCHEMBL2035559 0.76 CHEK1 (0.51) L3MBTL1CHEK1MEN1KMT2AALDH1A1
SCHEMBL5163913 0.75 CHEK1 (0.51) L3MBTL1CHEK1MEN1KMT2ALRRK2
SCHEMBL2034631 0.75 BRD4 (0.54) L3MBTL1CHEK1ALDH1A1

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-7608618-B2 Urea or thiourea substituted 1,4-pyrazine compounds useful as anti-cancer agents and for inhibiting Chk1 ICOS CORPORATION (US) 2009-10-27 US disclosed
US-20050245525-A1 Compounds useful for inhibiting CHK1 ICOS CORPORATION (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-20050245525-A1 Compounds useful for inhibiting CHK1 CHEK1, PCNA, CHEK2 L3MBTL1 310/4885CHEK1 1/4885CYP11B1 3367/4885

“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.