SCHEMBL6508464

SCHEMBL6508464

Cc1n[nH]c2c1c(=O)n(CCCN)c1ccc(Br)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.53
PIK3R1 P27986 6/20 0.45
PIK3CA P42336 6/20 0.45
KCNH2 Q12809 1/20 0.42
PLK1 P53350 2/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
CNR2 P34972 1/20 0.36
MAPK8 P45983 1/20 0.36
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HPGD P15428 2/20 0.34
GLA P06280 1/20 0.34
APEX1 P27695 1/20 0.34
SYK P43405 1/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL6507976 0.97 CHEK1 (0.53) CHEK1PIK3R1PIK3CAKCNH2PLK1
SCHEMBL6522871 0.93 CHEK1 (0.51) CHEK1PIK3R1PIK3CAKCNH2PLK1
SCHEMBL6513825 0.87 CHEK1 (0.70) CHEK1KCNH2PLK1CNR2MAPK8
SCHEMBL6508143 0.86 PIK3R1 (0.43) CHEK1PIK3R1PIK3CAALDH1A1SMN1; SMN2
SCHEMBL6515436 0.84 CHEK1 (0.51) CHEK1KCNH2PLK1ALDH1A1LMNA
SCHEMBL6513337 0.83 PIK3R1 (0.45) CHEK1PIK3R1PIK3CAALDH1A1SMN1; SMN2
SCHEMBL6515579 0.83 PIK3R1 (0.43) CHEK1PIK3R1PIK3CAKCNH2PLK1
SCHEMBL6517619 0.82 CHEK1 (0.77) CHEK1PIK3R1PIK3CAKCNH2PLK1
SCHEMBL6514168 0.79 PLK1 (0.45) PIK3R1PIK3CAPLK1ALDH1A1SMN1; SMN2
SCHEMBL6522395 0.79 PLK1 (0.45) PIK3R1PIK3CAPLK1ALDH1A1SMN1; SMN2

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 3/4885PIK3R1 439/4885PIK3CA 409/4885

“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.