SCHEMBL13677592

SCHEMBL13677592

CNC(=O)CCN(C)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 3/20 0.40
▸ ACHE P22303 3/20 0.40
▸ ALDH1A1 P00352 4/20 0.38
▸ POLB P06746 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ADH1A P07327 1/20 0.37
▸ ATM Q13315 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL24693692 0.96 LMNA (0.38) BCHEACHEALDH1A1POLBMEN1
SCHEMBL27775197 0.91 LMNA (0.39) BCHEACHEALDH1A1POLBLMNA
SCHEMBL3188510 0.83 ALDH1A1 (0.46) BCHEACHEALDH1A1POLBL3MBTL1
SCHEMBL13396694 0.83 MEN1 (0.40) BCHEACHEALDH1A1POLBMEN1
SCHEMBL24412691 0.80 BCHE (0.53) BCHEACHEMAPT
SCHEMBL24739058 0.77 ADH1A (0.38) BCHEACHEALDH1A1POLBMEN1
SCHEMBL24412637 0.76 CASP2 (0.53) BCHEACHE
SCHEMBL20254246 0.75 ALDH1A1 (0.38) BCHEACHEALDH1A1LMNAADH1A
SCHEMBL25586472 0.75 ALDH1A1 (0.39) ALDH1A1POLBMEN1KMT2AL3MBTL1
SCHEMBL27866405 0.73 KMT2A (0.37) ACHEALDH1A1MEN1KMT2AADH1A

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-20070185013-A1 Use of chk1 inhibitors to control cell proliferation ICOS CORPORATION (US) 2007-08-09 — — 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-20070185013-A1 Use of chk1 inhibitors to control cell proliferation CHEK1, CHEK2, CDC25C BCHE 2769/4885ACHE 3553/4885ALDH1A1 3604/4885

“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.

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