SCHEMBL6514882

SCHEMBL6514882

Cc1[nH]nc2c1c(=O)[nH]c1ccc(F)cc12

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 9/20 0.74
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
CDC25A P30304 1/20 0.45
CDC25C P30307 1/20 0.45
TYMS P04818 1/20 0.45
CSF1R P07333 1/20 0.44
KDM4E B2RXH2 1/20 0.44
DRD4 P21917 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
PARP1 P09874 1/20 0.42
KIF11 P52732 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
Hydrochloric Acid SCHEMBL6508722 0.99 CHEK1 (0.72) CHEK1KEAP1NFE2L2CDC25ACDC25C
SCHEMBL6508962 0.83 CHEK1 (0.74) CHEK1PARP1
SCHEMBL6507585 0.83 CHEK1 (1.00) CHEK1CDC25ACDC25CTYMSCSF1R
SCHEMBL6046750 0.83 CHEK1 (0.74) CHEK1TYMSCSF1R
SCHEMBL6509801 0.79 CHEK1 (0.67) CHEK1CSF1RPARP1
SCHEMBL4006355 0.77 CHEK1 (1.00) CHEK1KDM4ESMN1; SMN2
SCHEMBL4017149 0.73 CHEK1 (1.00) CHEK1KIF11
SCHEMBL30577465 0.70 CSF1R (0.48) CHEK1KEAP1NFE2L2CDC25ACDC25C
SCHEMBL6046741 0.70 CHEK1 (0.55) CHEK1
SCHEMBL30577460 0.69 ADORA3 (0.53) KEAP1NFE2L2KDM4E

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 3/4885KEAP1 2533/4885NFE2L2 4557/4885

“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.