SCHEMBL6509674

SCHEMBL6509674

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

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 16/20 0.73
KCNH2 Q12809 2/20 0.49
AURKA O14965 1/20 0.40
KDR P35968 1/20 0.40
AURKB Q96GD4 1/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PLK1 P53350 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
SCHEMBL6509676 1.00 CHEK1 (0.73) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6518282 1.00 CHEK1 (0.73) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6509062 0.87 CHEK1 (0.55) CHEK1KCNH2AURKAKDRAURKB
Hydrochloric Acid SCHEMBL6513284 0.86 CHEK1 (0.54) CHEK1KCNH2AURKAKDRAURKB
Hydrochloric Acid SCHEMBL6513290 0.86 CHEK1 (0.54) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6514619 0.83 CHEK1 (0.52) CHEK1KCNH2ALDH1A1LMNACYP1A2
SCHEMBL6521943 0.83 CHEK1 (0.52) CHEK1KCNH2ALDH1A1LMNACYP1A2
SCHEMBL6521937 0.83 CHEK1 (0.52) CHEK1KCNH2ALDH1A1LMNACYP1A2
SCHEMBL6518147 0.83 CHEK1 (0.77) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6519320 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 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 3052/4885AURKA 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.