SCHEMBL3461284

SCHEMBL3461284

O[C@@H]1Cc2ccccc2[C@@H]1Nc1ncnc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.64
RPS6KB1 P23443 1/20 0.64
EGFR P00533 3/20 0.42
ABCG2 Q9UNQ0 2/20 0.42
DAPK3 O43293 1/20 0.42
MAP4K4 O95819 1/20 0.42
ABL1 P00519 1/20 0.42
ERBB2 P04626 1/20 0.42
PIM1 P11309 1/20 0.42
PRKACA P17612 1/20 0.42
LTK P29376 1/20 0.42
MAPK8 P45983 1/20 0.42
CSNK1A1 P48729 1/20 0.42
RPS6KA3 P51812 1/20 0.42
LIMK1 P53667 1/20 0.42
MAP2K1 Q02750 1/20 0.42
ACVR1 Q04771 1/20 0.42
TYRO3 Q06418 1/20 0.42
MAP4K2 Q12851 1/20 0.42
ROCK1 Q13464 1/20 0.42

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
SCHEMBL3461174 1.00 AURKA (0.64) AURKARPS6KB1EGFRABCG2DAPK3
SCHEMBL14468231 0.80 AURKA (0.47) AURKARPS6KB1CLK4LMNACYP1A2
SCHEMBL14412292 0.80 AURKA (0.47) AURKARPS6KB1NAE1UBA3MAPT
SCHEMBL5319712 0.80 AURKA (0.47) AURKARPS6KB1NAE1UBA3MAPT
SCHEMBL3459779 0.79 GBA1 (0.63) AURKARPS6KB1ABCG2ADORA3
SCHEMBL3459952 0.79 GBA1 (0.63) AURKARPS6KB1ABCG2ADORA3
SCHEMBL666451 0.78 RPS6KB1 (1.00) AURKARPS6KB1AURKB
SCHEMBL5565597 0.77 ADORA3 (0.52) AURKARPS6KB1ABCG2LMNAADORA3
SCHEMBL3460118 0.77 ADORA3 (0.52) AURKARPS6KB1ABCG2LMNAADORA3
SCHEMBL3460150 0.77 ADORA3 (0.52) AURKARPS6KB1ABCG2LMNAADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763627-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2010-07-27 US disclosed
US-20070161651-A1 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2007-07-12 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-20070161651-A1 Tie-2 modulators and methods of use TIE1, TEK, KDR AURKA 592/4885RPS6KB1 2071/4885EGFR 429/4885

“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.