SCHEMBL6518745

SCHEMBL6518745

NCCCn1c(=O)c2c(CCN3CCCCC3)[nH]nc2c2cc(Cl)ccc21

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.65
KCNH2 Q12809 1/20 0.47
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TMEM97 Q5BJF2 6/20 0.39
RAD52 P43351 1/20 0.37
NLRP1 Q9C000 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 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
SCHEMBL6513422 0.85 CHEK1 (0.71) CHEK1KCNH2
SCHEMBL6522826 0.85 CHEK1 (0.74) CHEK1KCNH2
SCHEMBL6507395 0.85 CHEK1 (0.70) CHEK1KCNH2
SCHEMBL6517768 0.84 CHEK1 (0.68) CHEK1KCNH2
SCHEMBL6517718 0.83 CHEK1 (0.77) CHEK1KCNH2TDP1
SCHEMBL6508600 0.83 CHEK1 (0.74) CHEK1KCNH2
SCHEMBL6510275 0.83 CHEK1 (0.70) CHEK1KCNH2
SCHEMBL6513681 0.83 CHEK1 (0.70) CHEK1KCNH2
Hydrochloric Acid SCHEMBL6522382 0.82 CHEK1 (0.76) CHEK1KCNH2TDP1
SCHEMBL6515401 0.82 CHEK1 (0.69) CHEK1KCNH2

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 3052/4885LMNA 2457/4885

“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.