SCHEMBL4556500

SCHEMBL4556500

CC(C)(C)OC(=O)NC1CCCN1Cc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4D Q6B0I6 1/20 0.41
SPHK2 Q9NRA0 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
SCN9A Q15858 1/20 0.40
GBA1 P04062 1/20 0.40

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
SCHEMBL7710458 0.88 KMT2A (0.60) KMT2AL3MBTL1
SCHEMBL3351581 0.79 SIGMAR1 (0.60)
SCHEMBL31291922 0.78 SCN9A (0.45) KMT2AL3MBTL1SCN9A
SCHEMBL31291853 0.78 SCN9A (0.45) KMT2AL3MBTL1SCN9A
SCHEMBL4231721 0.77 DRD2 (0.55) KMT2AL3MBTL1KDM4D
SCHEMBL2030049 0.77 DRD2 (0.55) KMT2AL3MBTL1KDM4D
SCHEMBL4855029 0.75 KMT2A (0.71) KMT2AL3MBTL1
SCHEMBL5847914 0.75 BTK (0.43) KMT2AL3MBTL1
SCHEMBL18763112 0.73 KMT2A (0.43) KMT2AL3MBTL1KDM4DSCN9A
SCHEMBL18763097 0.73 KMT2A (0.43) KMT2AL3MBTL1KDM4DSCN9A

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 KMT2A 1546/4885L3MBTL1 310/4885KDM4D 2848/4885

“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.