SCHEMBL6522407

SCHEMBL6522407

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

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 7/20 0.66
KCNH2 Q12809 1/20 0.54
TDP1 Q9NUW8 4/20 0.45
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 1/20 0.42
THRB P10828 1/20 0.42
AURKA O14965 1/20 0.41
KDR P35968 1/20 0.41
AURKB Q96GD4 1/20 0.41
TP53 P04637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
USP2 O75604 1/20 0.40

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
SCHEMBL6508392 0.90 CHEK1 (0.59) CHEK1KCNH2TDP1NPC1
SCHEMBL6515680 0.90 CHEK1 (0.68) CHEK1KCNH2TDP1MAPTSMN1; SMN2
SCHEMBL6517916 0.90 CHEK1 (0.63) CHEK1KCNH2TDP1NPC1AURKA
SCHEMBL6510362 0.90 CHEK1 (0.58) CHEK1KCNH2MAPTMEN1KMT2A
SCHEMBL6519989 0.85 CHEK1 (0.61) CHEK1KCNH2TDP1MAPTNPC1
SCHEMBL6515391 0.82 CHEK1 (0.77) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6510579 0.82 CHEK1 (0.80) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6507644 0.81 CHEK1 (0.72) CHEK1KCNH2MAPTNPC1THRB
SCHEMBL6512695 0.81 CHEK1 (0.78) CHEK1KCNH2TDP1AURKAKDR
SCHEMBL6521777 0.80 CHEK1 (0.67) 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 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 3052/4885TDP1 868/4885

“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.