SCHEMBL5480003

SCHEMBL5480003

COc1nc2ccccc2cc1-c1cc2cc(OCCN3CCCCC3)ccc2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.67
AURKA O14965 3/20 0.56
PDGFRB P09619 2/20 0.54
PDGFRA P16234 1/20 0.54
FLT3 P36888 3/20 0.51
HRH3 Q9Y5N1 1/20 0.50
LTA4H P09960 4/20 0.48
ACHE P22303 2/20 0.48
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL5447656 0.84 KDR (0.57) KDRAURKAPDGFRBPDGFRA
SCHEMBL14269691 0.83 CHEK1 (0.54) KDR
SCHEMBL5079406 0.81 KDR (1.00) KDRAURKAPDGFRBPDGFRAFLT3
SCHEMBL5078761 0.81 KDR (1.00) KDRAURKAPDGFRBPDGFRAFLT3
SCHEMBL5480000 0.80 KDR (0.42) KDRAURKA
SCHEMBL5078012 0.79 KDR (0.98) KDRAURKAPDGFRBPDGFRAFLT3
SCHEMBL5447652 0.77 BTK (0.45) KDRAURKAPDGFRBPDGFRAFLT3
SCHEMBL5076089 0.76 KDR (0.90) KDRAURKAPDGFRBPDGFRAHRH3
SCHEMBL16424041 0.74 KDR (0.56) KDRAURKAPDGFRBPDGFRAFLT3
SCHEMBL5443779 0.74 CHEK1 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070054921-A1 Substituted indoles and a process for preparing substituted indoles MERCK & CO., INC. 2007-03-08 US claimed
US-20070054921-A1 Substituted indoles and a process for preparing substituted indoles MERCK & CO., INC. 2007-03-08 US disclosed
US-20070054921-A1 Substituted indoles and a process for preparing substituted indoles MERCK & CO., INC. 2007-03-08 US disclosed
US-20070054921-A1 Substituted indoles and a process for preparing substituted indoles MERCK & CO., INC. 2007-03-08 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-20070054921-A1 Substituted indoles and a process for preparing substituted indoles IDO1, IDO2, TPH1 KDR 2378/4885AURKA 330/4885PDGFRB 987/4885

“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.