SCHEMBL6509536

SCHEMBL6509536

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

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.58
MAPT P10636 3/20 0.44
PTGS2 P35354 1/20 0.43
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
UBE2N P61088 1/20 0.41
PLD2 O14939 1/20 0.41
PLD1 Q13393 1/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
CACNA1G O43497 3/20 0.41
KCNH2 Q12809 1/20 0.40
CNR2 P34972 1/20 0.40
GFER P55789 1/20 0.39
HTR3A P46098 1/20 0.39
PLK1 P53350 1/20 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
SCHEMBL6514143 0.88 CHEK1 (0.57) CHEK1KMT2AGAAMEN1CACNA1G
SCHEMBL6523103 0.88 CHEK1 (0.55) CHEK1MAPTALDH1A1HTTCNR2
SCHEMBL6513068 0.87 CHEK1 (0.43) CHEK1MAPTPTGS2KMT2AALDH1A1
SCHEMBL6533735 0.83 CHEK1 (0.51) CHEK1MAPTKMT2AALDH1A1GAA
SCHEMBL6515407 0.83 CHEK1 (0.71) CHEK1KCNH2GFERPLK1
SCHEMBL6513032 0.82 CHEK1 (0.53) CHEK1MAPTALDH1A1GAACNR2
SCHEMBL6516777 0.82 CHEK1 (0.49) CHEK1MAPTKMT2AALDH1A1MEN1
SCHEMBL6514629 0.81 CHEK1 (0.49) CHEK1MAPTKMT2AALDH1A1MEN1
SCHEMBL6515699 0.80 CHEK1 (0.55) CHEK1MAPTKMT2AALDH1A1MEN1
SCHEMBL6519817 0.80 CHEK1 (0.50) CHEK1ALDH1A1PLD2PLD1HTT

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 3/4885MAPT 3744/4885PTGS2 4698/4885

“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.