SCHEMBL6475949

SCHEMBL6475949

CN(CCN)CCCN(C)CCNc1nc2ccccc2c2c1C(=O)c1cnccc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.47
TOP2A P11388 4/20 0.38
ECE1 P42892 1/20 0.37
MUS81 Q96NY9 1/20 0.37
TP53 P04637 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
PDE5A O76074 1/20 0.35
TDP1 Q9NUW8 4/20 0.34
TDP2 O95551 2/20 0.34
TLR9 Q9NR96 1/20 0.34
ACP1 P24666 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
RAD52 P43351 1/20 0.34
KAT2B Q92831 1/20 0.33

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
SCHEMBL6476600 0.95 TOP1 (0.51) TOP1TOP2ATP53CSNK2A2CSNK2B
SCHEMBL6477385 0.93 TOP1 (0.52) TOP1TOP2AECE1MUS81TP53
SCHEMBL6484291 0.91 TOP1 (0.51) TOP1TOP2ATP53CSNK2A2CSNK2B
SCHEMBL6482857 0.90 TOP1 (0.49) TOP1TOP2ATP53BCHEACHE
SCHEMBL5780878 0.86 TOP1 (0.61) TOP1TOP2ACSNK2A2CSNK2BCSNK2A1
SCHEMBL6475257 0.86 TOP1 (0.49) TOP1CSNK2A2CSNK2BCSNK2A1ACP1
SCHEMBL6476038 0.86 TOP1 (0.45) TOP1CSNK2A2CSNK2BCSNK2A1KAT2B
SCHEMBL6482651 0.82 TOP1 (0.50) TOP1CSNK2A2CSNK2BCSNK2A1BCHE
SCHEMBL6475539 0.82 TOP1 (0.65) TOP1ECE1MUS81TP53CSNK2A2
SCHEMBL7265972 0.81 TOP1 (0.42) TOP1TOP2ATP53BCHEACHE

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-6946472-B2 Polycyclic compounds exhibiting anti-tumor activities HOFFMAN-LA ROCHE INC. (US) 2005-09-20 US disclosed
US-20030229098-A1 Polycyclic compounds exhibiting anti-tumor activities F.HOFFMANN-LA ROCHE AG (CH) 2003-12-11 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-20030229098-A1 Polycyclic compounds exhibiting anti-tumor activities RB1, CCNA1, ACIN1 TOP1 74/4885TOP2A 105/4885ECE1 3047/4885

“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.