SCHEMBL6507581

SCHEMBL6507581

Cc1[nH]nc2c1c(=O)n(CCCN)c1ccccc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 10/20 0.72
AURKA O14965 1/20 0.64
KDR P35968 1/20 0.64
AURKB Q96GD4 1/20 0.64
KCNH2 Q12809 2/20 0.60
SYK P43405 2/20 0.46
HPGD P15428 2/20 0.46
GLA P06280 1/20 0.46
APEX1 P27695 1/20 0.46
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MYLK Q15746 1/20 0.44
PGR P06401 1/20 0.43
RORA P35398 1/20 0.43
RORC P51449 1/20 0.43
RORB Q92753 1/20 0.43
TOP2A P11388 1/20 0.42
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
CAMK2D Q13557 1/20 0.41

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
SCHEMBL6507426 0.93 CHEK1 (0.71) CHEK1AURKAKDRAURKBKCNH2
SCHEMBL4004208 0.87 CHEK1 (0.71) CHEK1AURKAKDRAURKBKCNH2
SCHEMBL6508702 0.86 CHEK1 (0.56) CHEK1AURKAKDRAURKBKCNH2
SCHEMBL6510579 0.86 CHEK1 (0.80) CHEK1AURKAKDRAURKBKCNH2
SCHEMBL6522349 0.86 AURKA (0.62) CHEK1AURKAKDRAURKBKCNH2
SCHEMBL6517711 0.85 CHEK1 (0.55) CHEK1AURKAKDRAURKBKCNH2
SCHEMBL6512695 0.85 CHEK1 (0.78) CHEK1AURKAKDRAURKBKCNH2
SCHEMBL6508848 0.84 AURKA (0.54) CHEK1AURKAKDRAURKBKCNH2
SCHEMBL6514092 0.84 CHEK1 (0.67) CHEK1AURKAKDRAURKBKCNH2
SCHEMBL6517619 0.84 CHEK1 (0.77) CHEK1AURKAKDRAURKBKCNH2

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 3/4885AURKA 78/4885KDR 1094/4885

“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.