SCHEMBL19344979

SCHEMBL19344979

N#Cc1cc(C#N)cc(-c2ccc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)cc2)c1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGR P06401 10/20 0.34
EGLN1 Q9GZT9 1/20 0.34
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
CYP19A1 P11511 1/20 0.33
PDK2 Q15119 2/20 0.32
MCHR1 Q99705 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30

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
SCHEMBL19345024 0.91 PGR (0.42) PGREGLN1FAAHMGLLPDK2
SCHEMBL19340273 0.89 PGR (0.33) PGRCYP19A1NPSR1
SCHEMBL19344954 0.88 TSHR (0.34) PGRPDK2NPSR1
SCHEMBL19345292 0.87 FAAH (0.38) PGRFAAHMGLLCYP19A1PDK2
SCHEMBL19345030 0.87 PGR (0.40) PGREGLN1FAAHMGLLCYP19A1
SCHEMBL13143195 0.86 PGR (0.41) PGREGLN1FAAHMGLLPDK2
SCHEMBL13143204 0.86 PGR (0.45) PGRNPSR1
SCHEMBL14398805 0.84 FAAH (0.40) EGLN1FAAHMGLLNPSR1
SCHEMBL19344975 0.84 PGR (0.44) PGREGLN1PDK2
SCHEMBL13870382 0.84 KDM4E (0.40) PGREGLN1FAAHMGLLPDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170263871-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC OPTOELECTRONIC DEVICE TIANMA MICRO-ELECTRONICS CO., LTD. (CN) 2017-09-14 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-20170263871-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC OPTOELECTRONIC DEVICE OR10J3, RPS10, OR51E2 PGR 1448/4885EGLN1 3027/4885FAAH 4316/4885

“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.