SCHEMBL16159641

SCHEMBL16159641

c1ccc2c(c1)-c1ccccc1C21c2cc(-c3ccc(-c4cncs4)cc3)ccc2-c2c1cc(-c1ccc(-c3cncs3)cc1)c1ccccc21

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.35
PDK2 Q15119 12/20 0.34
PLAUR Q03405 1/20 0.32
PIM1 P11309 2/20 0.32
DYRK1A Q13627 1/20 0.32
CD38 P28907 1/20 0.31
IDO1 P14902 1/20 0.31
CHEK1 O14757 1/20 0.30
CHEK2 O96017 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
SCHEMBL16159125 0.93 PDK2 (0.36) KDRPDK2PLAURPIM1DYRK1A
SCHEMBL16159631 0.89 KDR (0.37) KDRPLAURPIM1DYRK1ACD38
SCHEMBL16159620 0.88 KDR (0.42) KDRPDK2PIM1DYRK1A
SCHEMBL16159443 0.87 PIM1 (0.36) KDRPDK2PLAURPIM1CHEK1
SCHEMBL16159262 0.85 AR (0.35) PDK2PLAURPIM1IDO1
SCHEMBL16159630 0.84 KDR (0.36) KDRPLAURPIM1DYRK1ACD38
SCHEMBL16159122 0.83 PDK2 (0.43) KDRPDK2PIM1DYRK1A
SCHEMBL16159127 0.82 KDR (0.36) KDRPLAURPIM1DYRK1ACD38
SCHEMBL16159677 0.80 PDK2 (0.34) PDK2IDO1CHEK2
SCHEMBL16159779 0.79 PDK2 (0.40) KDRPDK2PIM1DYRK1ACD38

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-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC CORPORATION (JP) 2016-04-28 US disclosed
US-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC CORPORATION (JP) 2016-04-28 US disclosed
WO-2014163173-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC株式会社 (JP) 2014-10-09 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-20160118598-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME HVCN1, VDAC1, SLC26A3 KDR 1398/4885PDK2 2391/4885PLAUR 4293/4885

“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.