SCHEMBL16159447

SCHEMBL16159447

c1cc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(-c4cccc(-c5nccs5)n4)ccc2-3)nc(-c2nccs2)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.43
PDK2 Q15119 5/20 0.42
SYK P43405 10/20 0.40
PDPK1 O15530 1/20 0.40
SRC P12931 4/20 0.39
ZAP70 P43403 3/20 0.39
CDK2 P24941 1/20 0.39
HSP90AA1 P07900 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.36
CYP1A1 P04798 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP1B1 Q16678 1/20 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
SCHEMBL16159453 0.89 PDK2 (0.35) RAB9APDK2SYKPDPK1SRC
SCHEMBL16159440 0.89 PDPK1 (0.42) RAB9APDK2SYKPDPK1SRC
SCHEMBL16159492 0.84 PDPK1 (0.49) PDK2PDPK1LOXL2
SCHEMBL16159436 0.84 RAB9A (0.41) RAB9APDK2SYKPDPK1SRC
SCHEMBL16159313 0.84 PDPK1 (0.51) RAB9APDK2PDPK1LOXL2
SCHEMBL14580664 0.83 PDK2 (0.48) RAB9APDK2
SCHEMBL16159143 0.82 RAB9A (0.40) RAB9APDK2SYKPDPK1HSP90AA1
SCHEMBL16159692 0.79 RAB9A (0.53) RAB9ASYKPDPK1SRCZAP70
SCHEMBL16159752 0.79 CYP2A6 (0.44) RAB9APDK2SYKPDPK1LOXL2
SCHEMBL17116829 0.78 PDK2 (0.52) RAB9APDK2CDK2CYP1A2

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 RAB9A 3067/4885PDK2 2391/4885SYK 4627/4885

“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.