SCHEMBL6475561

SCHEMBL6475561

COc1ccc2c3c(c(NCCN(C)CCNc4nc5cc(OC)ccc5c5c4C(=O)c4cnccc4-5)nc2c1)C(=O)c1cnccc1-3

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.51
KAT2B Q92831 2/20 0.40
CSNK2A1 P68400 3/20 0.40
CSNK2A2 P19784 2/20 0.40
CSNK2B P67870 1/20 0.40
HTR1A P08908 2/20 0.38
ADRA1D P25100 2/20 0.38
ADRA1A P35348 2/20 0.38
ADRA1B P35368 2/20 0.38
TERT O14746 3/20 0.37
GSK3B P49841 1/20 0.37
CYP3A4 P08684 1/20 0.36
IDO1 P14902 1/20 0.36
DYRK1A Q13627 1/20 0.36
PDE10A Q9Y233 1/20 0.35
FERMT2 Q96AC1 1/20 0.35
CCNE2 O96020 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CCNE1 P24864 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
SCHEMBL6483946 0.99 TOP1 (0.50) TOP1KAT2BCSNK2A1CSNK2A2CSNK2B
SCHEMBL6482851 0.97 TOP1 (0.48) TOP1KAT2BCSNK2A1CSNK2A2CSNK2B
SCHEMBL5778588 0.94 TOP1 (0.58) TOP1KAT2BCSNK2A1CSNK2A2CSNK2B
SCHEMBL6476038 0.93 TOP1 (0.45) TOP1KAT2BCSNK2A1CSNK2A2CSNK2B
SCHEMBL6475257 0.93 TOP1 (0.49) TOP1CSNK2A1CSNK2A2CSNK2BTERT
SCHEMBL5781260 0.91 TOP1 (0.52) TOP1KAT2BCSNK2A1CSNK2A2CSNK2B
SCHEMBL5784467 0.91 TOP1 (0.47) TOP1KAT2BCSNK2A1CSNK2A2CSNK2B
SCHEMBL5780915 0.90 TOP1 (0.58) TOP1KAT2BCSNK2A1CSNK2A2CSNK2B
SCHEMBL5782759 0.88 TOP1 (0.43) TOP1CSNK2A1CSNK2A2HTR1AADRA1D
SCHEMBL5786456 0.85 ADORA2A (0.45) TOP1CSNK2A1CSNK2A2CSNK2BHTR1A

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 74/4885KAT2B 1516/4885CSNK2A1 1205/4885

“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.