SCHEMBL6513068

SCHEMBL6513068

COCCc1[nH]nc2c1c(=O)n(CCCNC(=O)c1ccc(Cl)cc1)c1ccc(Br)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.43
PTGS2 P35354 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 5/20 0.39
GAA P10253 4/20 0.39
UBE2N P61088 1/20 0.39
CNR2 P34972 1/20 0.39
PLD2 O14939 1/20 0.38
PLD1 Q13393 1/20 0.38
GFER P55789 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
GLA P06280 2/20 0.38
LMNA P02545 1/20 0.38
MAPK10 P53779 1/20 0.38
CACNA1G O43497 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
SCHEMBL6509536 0.87 CHEK1 (0.58) CHEK1PTGS2KMT2AMEN1MAPT
SCHEMBL6509246 0.82 CHEK1 (0.55) CHEK1ALDH1A1KDM4EMAPK10HSD17B10
SCHEMBL6513681 0.78 CHEK1 (0.70) CHEK1ALDH1A1KDM4EMAPK10HSD17B10
SCHEMBL6515561 0.77 CHEK1 (0.53) CHEK1KMT2AMEN1ALDH1A1GAA
SCHEMBL6510497 0.77 CHEK1 (0.55) CHEK1MAPK10
SCHEMBL6518814 0.76 CHEK1 (0.44) CHEK1KMT2AMEN1MAPTALDH1A1
SCHEMBL6523103 0.75 CHEK1 (0.55) CHEK1MAPTALDH1A1CNR2GFER
SCHEMBL6514143 0.75 CHEK1 (0.57) CHEK1KMT2AMEN1GAAGFER
SCHEMBL6515401 0.74 CHEK1 (0.69) CHEK1ALDH1A1GAAKDM4EMAPK10
SCHEMBL6533735 0.73 CHEK1 (0.51) 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 3/4885PTGS2 4698/4885KMT2A 1919/4885

“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.