SCHEMBL2606511

SCHEMBL2606511

CC1(C)c2cc(C#N)ccc2-c2cc3c(cc21)-c1c(cc(C#N)c2ccccc12)C3(C)C

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.39
ALK Q9UM73 16/20 0.37
PGR P06401 1/20 0.34
SRPK2 P78362 2/20 0.34
SRPK1 Q96SB4 2/20 0.34

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
SCHEMBL15895348 0.91 IMPDH2 (0.36) PDK2ALKPGR
SCHEMBL15895318 0.89 PDK2 (0.34) PDK2ALKPGR
SCHEMBL15895408 0.89 PDK2 (0.34) PDK2ALKPGR
SCHEMBL15895401 0.86 PDK2 (0.33) PDK2ALK
SCHEMBL15895402 0.86 PDK2 (0.33) PDK2ALK
SCHEMBL15895345 0.86 NSD2 (0.32) ALK
SCHEMBL15895351 0.85 PGR (0.37) PDK2ALKPGR
SCHEMBL15895314 0.85 PGR (0.37) PDK2ALKPGR
SCHEMBL18054895 0.83 ALK (0.36) PDK2ALK
SCHEMBL15895424 0.82 ALK (0.37) PDK2ALKSRPK2SRPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8241763-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-08-14 US disclosed
EP-2038370-B1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-04-25 EP disclosed
US-20090261717-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-10-22 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-20090261717-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, SLC26A3, SLCO4C1 PDK2 2586/4885ALK 2733/4885PGR 1970/4885

“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.