SCHEMBL3572602

SCHEMBL3572602

COc1ccc2[nH]c3c(c2c1)CCN(C(C)=O)C3c1cccc(O)c1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 15/20 0.77
ABCG2 Q9UNQ0 3/20 0.61
ABCB1 P08183 2/20 0.61
TP53 P04637 2/20 0.61
MAPT P10636 2/20 0.61

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
SCHEMBL12993594 0.90 KIF11 (0.71) KIF11ABCG2ABCB1TP53MAPT
SCHEMBL3571437 0.90 KIF11 (0.78) KIF11ABCG2ABCB1TP53MAPT
SCHEMBL3577680 0.87 KIF11 (1.00) KIF11
SCHEMBL3568488 0.86 KIF11 (0.80) KIF11
SCHEMBL3577188 0.86 KIF11 (0.80) KIF11
SCHEMBL3573923 0.82 KIF11 (0.83) KIF11
SCHEMBL3577511 0.81 KIF11 (0.81) KIF11
SCHEMBL764898 0.80 TP53 (0.66) KIF11ABCG2ABCB1TP53MAPT
SCHEMBL2707877 0.80 MAPKAPK2 (0.62) ABCG2ABCB1TP53MAPT
SCHEMBL16301440 0.80 KIF11 (0.60) KIF11ABCG2ABCB1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7855295-B2 Tetrahydrocarboline compounds as anticancer agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-12-21 US disclosed
US-7855295-B2 Tetrahydrocarboline compounds as anticancer agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-12-21 US disclosed
US-7855295-B2 Tetrahydrocarboline compounds as anticancer agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-12-21 US disclosed
EP-1706404-A2 TETRAHYDROCARBOLINE COMPOUNDS AS ANTICANCER AGENTS Chiron Corporation (US) 2006-10-04 EP disclosed
US-20050215580-A1 Tetrahydrocarboline compounds as anticancer agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2005-09-29 US disclosed
WO-2005070930-A2 TETRAHYDROCARBOLINE COMPOUNDS AS ANTICANCER AGENTS CHIRON CORPORATION (US) 2005-08-04 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-20050215580-A1 Tetrahydrocarboline compounds as anticancer agents MTHFD1, BAD, DHFR KIF11 2735/4885ABCG2 314/4885ABCB1 70/4885

“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.