SCHEMBL4565054

SCHEMBL4565054

COC(=O)c1ccc(NC(=O)Nc2cnc(C)cn2)cc1OCc1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
CHEK1 O14757 3/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.44
LRRK2 Q5S007 2/20 0.44
PPIA P62937 1/20 0.44
NAMPT P43490 2/20 0.43
MET P08581 2/20 0.42
POLB P06746 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
SCHEMBL4557429 0.91 L3MBTL1 (0.50) L3MBTL1KMT2AALDH1A1CHEK1CYP11B1
SCHEMBL2035559 0.81 CHEK1 (0.51) L3MBTL1KDM4EHSD17B10KMT2AALDH1A1
SCHEMBL2034828 0.79 KDM4E (0.55) KDM4EHSD17B10KMT2AALDH1A1HPGD
SCHEMBL6567644 0.79 KMT2A (0.58) L3MBTL1KDM4EHSD17B10KMT2AALDH1A1
SCHEMBL2037216 0.77 CHEK1 (0.51) KDM4EKMT2ACHEK1MEN1LRRK2
SCHEMBL2035648 0.77 CHEK1 (0.54) KDM4EKMT2AALDH1A1CHEK1MEN1
SCHEMBL2035402 0.77 CHEK1 (0.51) KDM4EKMT2ACHEK1MEN1LRRK2
SCHEMBL2035693 0.76 BRD4 (0.53) L3MBTL1KDM4EKMT2AALDH1A1CHEK1
SCHEMBL5163297 0.76 CHEK1 (0.51) KDM4EHSD17B10KMT2AALDH1A1HPGD
SCHEMBL2034631 0.75 BRD4 (0.54) L3MBTL1ALDH1A1CHEK1POLB

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 310/4885KDM4E 2395/4885HSD17B10 2786/4885

“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.