Sugi Predict

Sugi Predict / Compounds / SCHEMBL6477385

SCHEMBL6477385

SCHEMBL6477385

CN(CCCN(C)CCNc1nc2ccccc2c2c1C(=O)c1ccncc1-2)CCNc1nc2ccccc2c2c1C(=O)c1cnccc1-2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 1/20 0.52
▸ TOP2A P11388 4/20 0.39
▸ TDP2 O95551 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CSNK2A1 P68400 2/20 0.37
▸ CSNK2A2 P19784 1/20 0.37
▸ CSNK2B P67870 1/20 0.37
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ TLR9 Q9NR96 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ ACP1 P24666 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ RAD52 P43351 1/20 0.35
▸ GBA1 P04062 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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 0.98 TOP1 (0.51) TOP1TOP2ATDP2TDP1TP53
SCHEMBL6484291 0.98 TOP1 (0.51) TOP1TOP2ATDP2TDP1TP53
SCHEMBL6475949 0.93 TOP1 (0.47) TOP1TOP2ATDP2TDP1TP53
SCHEMBL6482857 0.93 TOP1 (0.49) TOP1TOP2ATP53ALDH1A1BCHE
SCHEMBL5780878 0.89 TOP1 (0.61) TOP1TOP2ATDP2TDP1CSNK2A1
SCHEMBL6475257 0.89 TOP1 (0.49) TOP1CSNK2A1CSNK2A2CSNK2BACP1
SCHEMBL6482651 0.85 TOP1 (0.50) TOP1CSNK2A1CSNK2A2CSNK2BBCHE
SCHEMBL6475539 0.85 TOP1 (0.65) TOP1TP53CSNK2A1CSNK2A2CSNK2B
SCHEMBL6483971 0.85 TOP1 (0.50) TOP1CSNK2A1CSNK2A2CSNK2BBCHE
SCHEMBL7265972 0.84 TOP1 (0.42) TOP1TOP2ATP53ALDH1A1BCHE

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 6 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 claimed
US-20030229098-A1 Polycyclic compounds exhibiting anti-tumor activities F.HOFFMANN-LA ROCHE AG (CH) 2003-12-11 — — US claimed
WO-2003093265-A1 DIMERIC POLYCYCLIC COMPOUNDS FOR THE TREATMENT OF TUMORS F. HOFFMANN-LA ROCHE AG (CH) 2003-11-13 — — WO claimed
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
WO-2003093265-A1 DIMERIC POLYCYCLIC COMPOUNDS FOR THE TREATMENT OF TUMORS F. HOFFMANN-LA ROCHE AG (CH) 2003-11-13 — — 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-20030229098-A1 Polycyclic compounds exhibiting anti-tumor activities RB1, CCNA1, ACIN1 TOP1 74/4885TOP2A 105/4885TDP2 3177/4885

“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.