SCHEMBL6521777

SCHEMBL6521777

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

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 12/20 0.67
KCNH2 Q12809 2/20 0.55
AURKA O14965 1/20 0.39
KDR P35968 1/20 0.39
AURKB Q96GD4 1/20 0.39
PLA2G2A P14555 1/20 0.38
TBXAS1 P24557 2/20 0.36
PLA2G4A P47712 1/20 0.36
RORA P35398 1/20 0.36
RORC P51449 1/20 0.36
RORB Q92753 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
SCHEMBL6514010 0.90 CHEK1 (0.64) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6510606 0.88 CHEK1 (0.70) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6523697 0.88 CHEK1 (0.72) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6507940 0.86 CHEK1 (0.75) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6518240 0.85 CHEK1 (0.63) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6518257 0.85 CHEK1 (0.67) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6525513 0.85 CHEK1 (0.67) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6507644 0.84 CHEK1 (0.72) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6522894 0.83 CHEK1 (0.65) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6515391 0.83 CHEK1 (0.77) 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 3052/4885AURKA 78/4885

“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.