SCHEMBL6522894

SCHEMBL6522894

Cc1[nH]nc2c1c(=O)n(CCCN)c1ccc(CCCN3CCCC3)cc21

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 10/20 0.65
KCNH2 Q12809 2/20 0.58
TERT O14746 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
AURKA O14965 1/20 0.38
KDR P35968 1/20 0.38
AURKB Q96GD4 1/20 0.38

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
SCHEMBL6515415 0.93 CHEK1 (0.58) CHEK1KCNH2TERTAURKAKDR
SCHEMBL6046793 0.90 CHEK1 (0.50) CHEK1KCNH2TERTAURKAKDR
SCHEMBL6523111 0.89 CHEK1 (0.51) CHEK1KCNH2TERTTMEM97
SCHEMBL6510606 0.87 CHEK1 (0.70) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6523697 0.86 CHEK1 (0.72) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6525513 0.85 CHEK1 (0.67) CHEK1KCNH2TERTAURKAKDR
SCHEMBL6518257 0.85 CHEK1 (0.67) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6507940 0.84 CHEK1 (0.75) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6515303 0.83 CHEK1 (0.62) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6514716 0.83 CHEK1 (0.70) CHEK1KCNH2AURKAKDRAURKB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050245563-A1 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (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-20050245563-A1 Chk-1 inhibitors CHKA, CHKB, CHEK1 CHEK1 3/4885KCNH2 3052/4885TERT 2790/4885

“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.