SCHEMBL6525512

SCHEMBL6525512

Cc1n[nH]c2c1c(=O)n(CCCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(Br)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 4/20 0.42
USP2 O75604 2/20 0.42
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
UBE2N P61088 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PLK1 P53350 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL6521790 0.84 FPR2 (0.42) MAPTPLK1KDM4EHTTPIK3R1
SCHEMBL6522395 0.81 PLK1 (0.45) SMN1; SMN2ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL6508143 0.81 PIK3R1 (0.43) SMN1; SMN2HSD17B10ALDH1A1KDM4EMAPK1
SCHEMBL6506935 0.80 PLK1 (0.44) CYP3A4CYP2D6CYP2C9CYP2C19PLK1
SCHEMBL6513337 0.80 PIK3R1 (0.45) MAPTSMN1; SMN2ALDH1A1HTTCNR2
SCHEMBL6521909 0.79 FEN1 (0.48) HSD17B10ALDH1A1CYP2C9PLK1KDM4E
SCHEMBL6514615 0.79 PIK3R1 (0.41) SMN1; SMN2ALDH1A1NPSR1PLK1CNR2
SCHEMBL6508464 0.76 CHEK1 (0.53) SMN1; SMN2HSD17B10ALDH1A1LMNANPSR1
SCHEMBL6507976 0.75 CHEK1 (0.53) SMN1; SMN2ALDH1A1PLK1CNR2PIK3R1
SCHEMBL6507120 0.74 MAPT (0.59) MAPTTP53HSD17B10ALDH1A1KDM4E

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 MAPT 3744/4885SMN1; SMN2 3724/4885TP53 1339/4885

“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.