SCHEMBL5782011

SCHEMBL5782011

CN(C)CCNc1nc2cc(O)ccc2c2c1C(=O)c1cnccc1-2

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.78
CSNK2A1 P68400 8/20 0.50
CSNK2A2 P19784 4/20 0.50
CSNK2B P67870 4/20 0.50
NQO2 P16083 2/20 0.37
CSNK2A3 Q8NEV1 1/20 0.37
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CASP1 P29466 1/20 0.36
BLM P54132 1/20 0.36
CASP7 P55210 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TOP2A P11388 1/20 0.35
NQO1 P15559 2/20 0.35
MITF O75030 1/20 0.35
ATAD2 Q6PL18 1/20 0.35
SMARCA2 P51531 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 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
SCHEMBL5785230 0.96 TOP1 (0.78) TOP1CSNK2A1CSNK2A2CSNK2BNQO2
SCHEMBL6475539 0.91 TOP1 (0.65) TOP1CSNK2A1CSNK2A2CSNK2BNQO2
SCHEMBL5779722 0.88 TOP1 (0.60) TOP1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL30479 0.88 TOP1 (1.00) TOP1CSNK2A1CSNK2A2CSNK2BNQO2
SCHEMBL29372771 0.88 TOP1 (1.00) TOP1CSNK2A1CSNK2A2CSNK2BNQO2
Hydrochloric Acid SCHEMBL29914031 0.87 TOP1 (0.98) TOP1CSNK2A1CSNK2A2CSNK2BNQO2
Hydrochloric Acid SCHEMBL1333536 0.87 TOP1 (0.98) TOP1CSNK2A1CSNK2A2CSNK2BNQO2
SCHEMBL5778588 0.86 TOP1 (0.58) TOP1CSNK2A1CSNK2A2CSNK2BNQO2
SCHEMBL5783279 0.86 TOP1 (0.58) TOP1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL5780412 0.86 TOP1 (0.61) TOP1CSNK2A1CSNK2A2CSNK2BNQO2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436293-B1 POLYCYCLIC COMPOUNDS HAVING ANTI-TUMOR ACTIVITY HOFFMANN LA ROCHE (CH) 2006-02-01 EP claimed
EP-1436293-A1 POLYCYCLIC COMPOUNDS HAVING ANTI-TUMOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2004-07-14 EP claimed
US-6680326-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS HOFFMANN-LA ROCHE INC. 2004-01-20 US claimed
US-20030073691-A1 Polycyclic compounds HOFFMANN-LA ROCHE INC. 2003-04-17 US claimed
WO-2003031444-A1 POLYCYCLIC COMPOUNDS HAVING ANTI-TUMOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2003-04-17 WO claimed
EP-1436293-B1 POLYCYCLIC COMPOUNDS HAVING ANTI-TUMOR ACTIVITY HOFFMANN LA ROCHE (CH) 2006-02-01 EP disclosed
EP-1436293-A1 POLYCYCLIC COMPOUNDS HAVING ANTI-TUMOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2004-07-14 EP disclosed
US-6680326-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS HOFFMANN-LA ROCHE INC. 2004-01-20 US disclosed
US-20030073691-A1 Polycyclic compounds HOFFMANN-LA ROCHE INC. 2003-04-17 US disclosed
WO-2003031444-A1 POLYCYCLIC COMPOUNDS HAVING ANTI-TUMOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2003-04-17 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-20030073691-A1 Polycyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, PKD1 TOP1 10/4885CSNK2A1 1873/4885CSNK2A2 2270/4885

“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.