SCHEMBL19767985

SCHEMBL19767985

c1ccc2ncc(-c3ccc4ccc5ccc(-c6ccc7ccc8cccc9ccc6c7c89)nc5c4n3)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.42
BIRC5 O15392 1/20 0.41
PDGFRB P09619 3/20 0.40
PDGFRA P16234 3/20 0.40
PIK3CA P42336 7/20 0.37
MTOR P42345 6/20 0.37
PIK3CD O00329 2/20 0.37
MAP4K4 O95819 1/20 0.37
CSNK1G2 P78368 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
MAP4K5 Q9Y4K4 1/20 0.37
TOP2A P11388 1/20 0.37
TOP2B Q02880 1/20 0.37
PARP10 Q53GL7 1/20 0.37
PARP11 Q9NR21 1/20 0.37
GRM4 Q14833 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
NISCH Q9Y2I1 1/20 0.36

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
SCHEMBL19768064 0.93 BIRC5 (0.46) CYP2A6BIRC5PDGFRBPDGFRAPIK3CA
SCHEMBL19768459 0.93 CYP2A6 (0.43) CYP2A6BIRC5PDGFRBPDGFRAPIK3CA
SCHEMBL19768275 0.93 CYP2A6 (0.40) CYP2A6BIRC5PDGFRBPDGFRAPIK3CA
SCHEMBL19768282 0.92 CYP2A6 (0.42) CYP2A6BIRC5PDGFRBPDGFRAPIK3CA
SCHEMBL19768493 0.90 BIRC5 (0.45) CYP2A6BIRC5PDGFRBPDGFRAPIK3CA
SCHEMBL19767989 0.89 PDGFRB (0.42) CYP2A6BIRC5PDGFRBPDGFRAPIK3CA
SCHEMBL19768480 0.89 CYP2A6 (0.54) CYP2A6BIRC5PDGFRBPDGFRAPIK3CA
SCHEMBL19768523 0.88 CYP2A6 (0.43) CYP2A6BIRC5PDGFRBPDGFRAPIK3CA
SCHEMBL19768489 0.87 PDGFRB (0.42) CYP2A6BIRC5PDGFRBPDGFRAPIK3CA
SCHEMBL19768474 0.86 CYP2A6 (0.54) CYP2A6BIRC5PDGFRBPDGFRAPIK3CA

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-20180019407-A1 PHENANTHROLINE DERIVATIVE, ELECTRONIC DEVICE CONTAINING SAME, LIGHT EMITTING ELEMENT, AND PHOTOELECTRIC CONVERSION ELEMENT TORAY INDUSTRIES, INC (JP) 2018-01-18 US disclosed
US-20180019407-A1 PHENANTHROLINE DERIVATIVE, ELECTRONIC DEVICE CONTAINING SAME, LIGHT EMITTING ELEMENT, AND PHOTOELECTRIC CONVERSION ELEMENT TORAY INDUSTRIES, INC (JP) 2018-01-18 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-20180019407-A1 PHENANTHROLINE DERIVATIVE, ELECTRONIC DEVICE CONTAINING SAME, LIGHT EMITTING ELEMENT, AND PHOTOELECTRIC CONVERSION ELEMENT SUN2, PAH, FARS2 CYP2A6 1583/4885BIRC5 4396/4885PDGFRB 4731/4885

“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.