SCHEMBL5779722

SCHEMBL5779722

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

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.60
CSNK2A1 P68400 6/20 0.48
CSNK2A2 P19784 2/20 0.48
CSNK2B P67870 2/20 0.48
MAT2A P31153 1/20 0.43
CSNK2A3 Q8NEV1 1/20 0.42
FERMT2 Q96AC1 1/20 0.42
FLT3 P36888 5/20 0.40
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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 0.91 TOP1 (0.50) TOP1CSNK2A1CSNK2A2CSNK2BMAT2A
SCHEMBL5782011 0.88 TOP1 (0.78) TOP1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL6483971 0.87 TOP1 (0.50) TOP1CSNK2A1CSNK2A2CSNK2BMAT2A
SCHEMBL5783279 0.86 TOP1 (0.58) TOP1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL5778588 0.86 TOP1 (0.58) TOP1CSNK2A1CSNK2A2CSNK2BFLT3
SCHEMBL5780878 0.85 TOP1 (0.61) TOP1CSNK2A1CSNK2A2CSNK2BFLT3
SCHEMBL5777704 0.85 TOP1 (0.56) TOP1CSNK2A1CSNK2A2CSNK2BKDM4E
SCHEMBL5785230 0.84 TOP1 (0.78) TOP1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL5781264 0.84 TOP1 (0.58) TOP1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL5780915 0.82 TOP1 (0.58) TOP1CSNK2A1CSNK2A2CSNK2BFLT3

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.