SCHEMBL2425597

SCHEMBL2425597

C=C/C=C\C(=C/C)c1ccc2[nH]c3c(ccc4c5cc(-c6ccccc6)ccc5[nH]c43)c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 2/20 0.35
▸ CCND1 P24385 2/20 0.35
▸ JAK2 O60674 3/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ BCHE P06276 2/20 0.34
▸ F2 P00734 1/20 0.34
▸ GABRA1 P14867 2/20 0.34
▸ GABRG2 P18507 2/20 0.34
▸ GABRB3 P28472 2/20 0.34
▸ GABRA5 P31644 2/20 0.34
▸ GABRA3 P34903 2/20 0.34
▸ GABRA2 P47869 2/20 0.34
▸ GABRA6 Q16445 2/20 0.34
▸ FDPS P14324 1/20 0.34
▸ TNKS2 Q9H2K2 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ NR4A2 P43354 1/20 0.32
▸ MEN1 O00255 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
SCHEMBL24684644 0.79 CDK4 (0.39) CDK4CCND1JAK2JAK1TYK2
SCHEMBL26784255 0.78 MAPT (0.41) —
SCHEMBL21014376 0.75 LIMK1 (0.38) —
SCHEMBL12324523 0.75 JAK2 (0.50) CDK4CCND1JAK2BCHEGABRA1
SCHEMBL23544105 0.73 — —
SCHEMBL12811090 0.71 — —
SCHEMBL21740826 0.71 TNKS2 (0.44) CDK4CCND1JAK2TNKS2HTR7
SCHEMBL21668856 0.71 TNKS2 (0.44) CDK4CCND1JAK2TNKS2HTR7
SCHEMBL20628351 0.71 MAPK13 (0.37) NR4A2MEN1KMT2A
SCHEMBL13699061 0.71 MAPT (0.40) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2936577-B1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2016-12-28 — — EP disclosed
US-9356243-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2016-05-31 — — US disclosed
US-20150340621-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2015-11-26 — — US disclosed
EP-2936577-A1 ORGANIC ELECTROLUMINESCENT DEVICE Merck Patent GmbH (DE) 2015-10-28 — — EP disclosed
US-20140350243-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCH PATENT GMBH (DE) 2014-11-27 — — US disclosed
US-8835626-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2014-09-16 — — US disclosed
WO-2014094964-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2014-06-26 — — WO disclosed
US-20130012700-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2013-01-10 — — US disclosed
WO-2011116865-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-09-29 — — WO 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-20130012700-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, EFNA1, PIEZO1 CDK4 3408/4885CCND1 1223/4885JAK2 4609/4885

“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.

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