SCHEMBL6515748

SCHEMBL6515748

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

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 9/20 0.77
MPO P05164 3/20 0.49
XDH P47989 3/20 0.49
KCNH2 Q12809 1/20 0.47
AURKA O14965 1/20 0.43
KDR P35968 1/20 0.43
AURKB Q96GD4 1/20 0.43
TOP1 P11387 1/20 0.42
WEE1 P30291 3/20 0.41
TOP2A P11388 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 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
Hydrochloric Acid SCHEMBL6523110 0.99 CHEK1 (0.76) CHEK1MPOXDHKCNH2AURKA
SCHEMBL6516725 0.87 CHEK1 (0.59) CHEK1MPOXDHKCNH2AURKA
Hydrochloric Acid SCHEMBL6530449 0.87 CHEK1 (0.59) CHEK1MPOXDHKCNH2TOP1
SCHEMBL6511411 0.87 CHEK1 (0.80) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6517703 0.87 CHEK1 (1.00) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6518149 0.86 CHEK1 (1.00) CHEK1KCNH2AURKAKDRAURKB
Hydrochloric Acid SCHEMBL6507705 0.86 CHEK1 (0.98) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6513516 0.85 CHEK1 (0.77) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6509133 0.85 CHEK1 (0.70) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6510497 0.83 CHEK1 (0.55) CHEK1MPOXDHTOP1WEE1

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 3/4885MPO 4800/4885XDH 4485/4885

“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.