SCHEMBL6521798

SCHEMBL6521798

NCCCn1c(=O)c2c(CCO)[nH]nc2c2cc(C#CCN3CCCC3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.45
KCNH2 Q12809 1/20 0.41
MMP13 P45452 2/20 0.35
LMNA P02545 1/20 0.34
PLK1 P53350 1/20 0.33
EGFR P00533 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
RIPK1 Q13546 2/20 0.30
GRIN1 Q05586 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL6516378 0.90 CHEK1 (0.49) CHEK1KCNH2MMP13LMNAPLK1
SCHEMBL6514012 0.90 CHEK1 (0.45) CHEK1KCNH2MMP13LMNAPLK1
SCHEMBL6515303 0.86 CHEK1 (0.62) CHEK1KCNH2MMP13LMNAPLK1
SCHEMBL6515402 0.86 CHEK1 (0.61) CHEK1KCNH2MMP13LMNAPLK1
SCHEMBL6046723 0.83 CHEK1 (0.50) CHEK1KCNH2MMP13LMNAPLK1
SCHEMBL6514689 0.81 CHEK1 (0.62) CHEK1KCNH2PLK1GRIN1
SCHEMBL6046702 0.81 CHEK1 (0.48) CHEK1KCNH2MMP13LMNARIPK1
SCHEMBL6518330 0.80 CHEK1 (0.55) CHEK1KCNH2MMP13LMNAHRH3
SCHEMBL6515187 0.80 CHEK1 (0.57) CHEK1KCNH2MMP13LMNAPLK1
SCHEMBL6515693 0.79 CHEK1 (0.59) CHEK1KCNH2MMP13PLK1EGFR

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-20050245563-A1 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-03 US disclosed
WO-2005028474-A2 PYRAZOLOQUINOLINE DERIVATIVES AS CHK-1 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-03-31 WO 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 3052/4885MMP13 3317/4885

“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.