SCHEMBL6484044

SCHEMBL6484044

CON=C1c2cnccc2-c2c1c(NCCCN(C)CCCNc1nc3ccccc3c3c1C(=NOC)c1cnccc1-3)nc1ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 4/20 0.41
TERT O14746 2/20 0.38
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
RAD52 P43351 3/20 0.38
POLB P06746 3/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 1/20 0.38
SLC2A1 P11166 1/20 0.38
APOBEC3A P31941 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
FLT3 P36888 2/20 0.37
NQO1 P15559 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
PAX8 Q06710 1/20 0.36

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
SCHEMBL7265972 0.95 TOP1 (0.42) TOP2ATERTBCHEACHERAD52
SCHEMBL7265975 0.95 TOP1 (0.42) TOP2ATERTBCHEACHERAD52
SCHEMBL6482857 0.83 TOP1 (0.49) TOP2ABCHEACHERAD52POLB
SCHEMBL6476600 0.79 TOP1 (0.51) TOP2ABCHEACHERAD52POLB
SCHEMBL5780775 0.78 TOP1 (0.58) TOP2ATERTRAD52POLBALDH1A1
SCHEMBL6477385 0.77 TOP1 (0.52) TOP2ABCHEACHERAD52POLB
SCHEMBL6484291 0.77 TOP1 (0.51) TOP2ABCHEACHERAD52POLB
SCHEMBL6475257 0.76 TOP1 (0.49) TERTRAD52POLBRXFP1FLT3
SCHEMBL6475949 0.75 TOP1 (0.47) TOP2ABCHEACHERAD52POLB
SCHEMBL5780878 0.73 TOP1 (0.61) TOP2ARAD52POLBALDH1A1SLC2A1

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 5 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

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 TOP2A 105/4885TERT 383/4885BCHE 4837/4885

“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.