SCHEMBL6533735

SCHEMBL6533735

Cc1[nH]nc2c1c(=O)n(CCCNC(=O)c1ccc(Cl)cc1)c1ccc(CCCN3CCCC3)cc21

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.51
CACNA1G O43497 9/20 0.50
HTR3A P46098 4/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
UBE2N P61088 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL6516777 0.86 CHEK1 (0.49) CHEK1CACNA1GHTR3AKMT2AMEN1
SCHEMBL6509536 0.83 CHEK1 (0.58) CHEK1CACNA1GHTR3AKMT2AMEN1
SCHEMBL6522894 0.81 CHEK1 (0.65) CHEK1
SCHEMBL6523103 0.81 CHEK1 (0.55) CHEK1MAPTALDH1A1
SCHEMBL6514143 0.81 CHEK1 (0.57) CHEK1CACNA1GHTR3AKMT2AMEN1
SCHEMBL6046793 0.80 CHEK1 (0.50) CHEK1
SCHEMBL6515407 0.77 CHEK1 (0.71) CHEK1
SCHEMBL6513032 0.76 CHEK1 (0.53) CHEK1MAPTALDH1A1GAA
SCHEMBL6515415 0.75 CHEK1 (0.58) CHEK1
SCHEMBL6515699 0.74 CHEK1 (0.55) CHEK1KMT2AMEN1MAPTALDH1A1

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 3/4885CACNA1G 3988/4885HTR3A 3735/4885

“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.