SCHEMBL19344940

SCHEMBL19344940

N#Cc1ccc(C#N)c(-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.36
ESR2 Q92731 1/20 0.34
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
GSK3B P49841 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
USP2 O75604 1/20 0.33
CYP19A1 P11511 2/20 0.32
OPRD1 P41143 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL19345027 0.90 STS (0.42) PGRESR2USP2CYP19A1
SCHEMBL17883162 0.88 CNR1 (0.36) PGRESR2
SCHEMBL17949597 0.85 ALDH1A1 (0.33)
SCHEMBL29512218 0.85 LMNA (0.35) PGRESR2
SCHEMBL17483438 0.85 LMNA (0.35) PGRESR2
SCHEMBL17955070 0.85 ESR2 (0.49) PGRESR2GSK3B
SCHEMBL19344999 0.85 CHEK1 (0.39) PGRESR2CCNB2CDK1CCNB1
SCHEMBL17955049 0.84 EGLN2 (0.37) PGRUSP2
SCHEMBL19344963 0.83 PGR (0.40) PGRUSP2OPRD1
SCHEMBL19345076 0.82 PGR (0.48) PGRESR2

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 1448/4885ESR2 231/4885CCNB2 91/4885

“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.