SCHEMBL6520896

SCHEMBL6520896

Cc1[nH]nc2c1c(=O)n(CCCNC(=O)C(N)Cc1ccc(OCc3ccccc3)cc1)c1ccccc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.42
TACR2 P21452 3/20 0.41
AURKA O14965 1/20 0.41
KDR P35968 1/20 0.41
AURKB Q96GD4 1/20 0.41
CHEK1 O14757 2/20 0.40
PSMB1 P20618 1/20 0.39
PSMB9 P28065 1/20 0.39
PSMB5 P28074 1/20 0.39
PSMB10 P40306 1/20 0.39
PSMB2 P49721 1/20 0.39
LNPEP Q9UIQ6 3/20 0.39

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
SCHEMBL6518300 0.90 AURKA (0.45) AURKAKDRAURKBCHEK1
SCHEMBL6512223 0.88 CHEK1 (0.51) AURKAKDRAURKBCHEK1
SCHEMBL6509375 0.88 AURKA (0.45) AURKAKDRAURKBCHEK1
SCHEMBL6514590 0.84 AURKA (0.46) AURKAKDRAURKBCHEK1
SCHEMBL6519572 0.84 CHEK1 (0.47) AURKAKDRAURKBCHEK1
SCHEMBL6519853 0.82 AURKA (0.44) AURKAKDRAURKBCHEK1
SCHEMBL6510076 0.78 AURKA (0.57) AURKAKDRAURKBCHEK1
SCHEMBL6514912 0.77 CHEK1 (0.55) CHEK1
SCHEMBL6512770 0.77 AURKA (0.50) AURKAKDRAURKBCHEK1
SCHEMBL6522416 0.76 MAPT (0.49) AURKAKDRAURKBCHEK1

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 REN 3593/4885TACR2 2793/4885AURKA 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.