SCHEMBL6513819

SCHEMBL6513819

C=CCn1c(=O)c2c(C)[nH]nc2c2cc(Cl)ccc21

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 14/20 0.71
AURKA O14965 1/20 0.43
KDR P35968 1/20 0.43
AURKB Q96GD4 1/20 0.43
HPGD P15428 2/20 0.40
APOBEC3G Q9HC16 2/20 0.40
KCNH2 Q12809 2/20 0.40
MEN1 O00255 1/20 0.40
PPARG P37231 1/20 0.40
KMT2A Q03164 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PLK1 P53350 1/20 0.38

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
SCHEMBL6515382 0.89 CHEK1 (0.74) CHEK1AURKAKDRAURKBKCNH2
SCHEMBL6517703 0.81 CHEK1 (1.00) CHEK1AURKAKDRAURKBKCNH2
SCHEMBL6511411 0.81 CHEK1 (0.80) CHEK1AURKAKDRAURKBKCNH2
Hydrochloric Acid SCHEMBL6507705 0.80 CHEK1 (0.98) CHEK1AURKAKDRAURKBKCNH2
SCHEMBL6518149 0.80 CHEK1 (1.00) CHEK1AURKAKDRAURKBKCNH2
SCHEMBL6514694 0.79 CHEK1 (0.73) CHEK1AURKAKDRAURKBKCNH2
SCHEMBL6518147 0.79 CHEK1 (0.77) CHEK1AURKAKDRAURKBKCNH2
SCHEMBL6509674 0.79 CHEK1 (0.73) CHEK1AURKAKDRAURKBKCNH2
SCHEMBL6515748 0.79 CHEK1 (0.77) CHEK1AURKAKDRAURKBKCNH2
SCHEMBL6518374 0.79 CHEK1 (0.67) 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.