SCHEMBL6513032

SCHEMBL6513032

Cc1[nH]nc2c1c(=O)n(CCNC(=O)c1ccc(Cl)cc1)c1ccccc21

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.53
AURKA O14965 1/20 0.52
KDR P35968 1/20 0.52
AURKB Q96GD4 1/20 0.52
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GFER P55789 1/20 0.43
CNR2 P34972 1/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 2/20 0.43
POLB P06746 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 2/20 0.42
THRB P10828 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ESR1 P03372 1/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL6523103 0.94 CHEK1 (0.55) CHEK1AURKAKDRAURKBMAPT
SCHEMBL6514156 0.89 AURKA (0.50) CHEK1AURKAKDRAURKBMAPT
SCHEMBL6514143 0.85 CHEK1 (0.57) CHEK1AURKAKDRAURKBGFER
SCHEMBL6517752 0.85 AURKA (0.50) CHEK1AURKAKDRAURKBMAPT
SCHEMBL6515699 0.84 CHEK1 (0.55) CHEK1AURKAKDRAURKBMAPT
SCHEMBL6519817 0.84 CHEK1 (0.50) CHEK1AURKAKDRAURKBCNR2
SCHEMBL6513140 0.84 AURKA (0.49) CHEK1AURKAKDRAURKBMAPT
SCHEMBL6521705 0.84 AURKA (0.51) CHEK1AURKAKDRAURKBMAPT
SCHEMBL6513075 0.83 AURKA (0.48) CHEK1AURKAKDRAURKBPOLB
SCHEMBL6515113 0.83 AURKA (0.48) CHEK1AURKAKDRAURKBMAPT

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 3/4885AURKA 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.