SCHEMBL19340277

SCHEMBL19340277

N#Cc1cc(-c2cc(C#N)cc(N3c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)c2)cc(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)c1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.37
PGR P06401 6/20 0.36
NR1H3 Q13133 1/20 0.33
ADRA2C P18825 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL19345083 0.93 PDK2 (0.38) PDK2PGRNR1H3NPSR1
SCHEMBL19345295 0.90 PDK2 (0.42) PDK2PGRNR1H3ADRA2C
SCHEMBL19345030 0.89 PGR (0.40) PDK2PGRNR1H3
SCHEMBL22147701 0.88 ABCG2 (0.36) PDK2PGR
SCHEMBL21396947 0.88 PDK2 (0.33) PDK2
SCHEMBL19340273 0.86 PGR (0.33) PGRNPSR1
SCHEMBL18411261 0.86 PDK2 (0.31) PDK2PGR
SCHEMBL19340272 0.83 PGR (0.40) PGR
SCHEMBL19344947 0.82 PGR (0.51) PDK2PGRNR1H3NPSR1
SCHEMBL18406722 0.82 KDM4E (0.33) PDK2PGRNR1H3

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-20170263871-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC OPTOELECTRONIC DEVICE TIANMA MICRO-ELECTRONICS CO., LTD. (CN) 2017-09-14 US disclosed
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 PDK2 3947/4885PGR 1448/4885NR1H3 251/4885

“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.