SCHEMBL6483971

SCHEMBL6483971

CN(CCCN(C)CCNc1nc2cc(Cl)ccc2c2c1C(=O)c1ccncc1-2)CCNc1nc2cc(Cl)ccc2c2c1C(=O)c1ccncc1-2

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.50
CSNK2A1 P68400 5/20 0.39
CSNK2A2 P19784 4/20 0.39
CSNK2B P67870 3/20 0.39
MAT2A P31153 1/20 0.38
FERMT2 Q96AC1 1/20 0.36
CSNK2A3 Q8NEV1 1/20 0.35
ACHE P22303 3/20 0.35
BCHE P06276 2/20 0.35
GSK3B P49841 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
FLT3 P36888 2/20 0.33
HRH4 Q9H3N8 1/20 0.33
LATS1 O95835 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
SCHEMBL6482651 0.96 TOP1 (0.50) TOP1CSNK2A1CSNK2A2CSNK2BMAT2A
SCHEMBL5779722 0.87 TOP1 (0.60) TOP1CSNK2A1CSNK2A2CSNK2BMAT2A
SCHEMBL6484291 0.86 TOP1 (0.51) TOP1CSNK2A1CSNK2A2CSNK2BACHE
SCHEMBL6475539 0.85 TOP1 (0.65) TOP1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL6477385 0.85 TOP1 (0.52) TOP1CSNK2A1CSNK2A2CSNK2BACHE
SCHEMBL6482851 0.83 TOP1 (0.48) TOP1CSNK2A1CSNK2A2CSNK2BGSK3B
SCHEMBL6476600 0.82 TOP1 (0.51) TOP1CSNK2A1CSNK2A2CSNK2BACHE
SCHEMBL6475561 0.80 TOP1 (0.51) TOP1CSNK2A1CSNK2A2CSNK2BFERMT2
SCHEMBL6475257 0.80 TOP1 (0.49) TOP1CSNK2A1CSNK2A2CSNK2BGSK3B
SCHEMBL6476038 0.80 TOP1 (0.45) TOP1CSNK2A1CSNK2A2CSNK2BFERMT2

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 TOP1 74/4885CSNK2A1 1205/4885CSNK2A2 1535/4885

“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.