SCHEMBL17704348

SCHEMBL17704348

c1cc(-c2cc3ccc4cc(-c5cccc(-c6nccs6)n5)cc5ccc(c2)c3c45)nc(-c2nccs2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.51
HSP90AA1 P07900 1/20 0.46
PDPK1 O15530 1/20 0.44
SYK P43405 10/20 0.44
SRC P12931 4/20 0.43
ZAP70 P43403 3/20 0.43
CDK2 P24941 1/20 0.43
CYP1A1 P04798 3/20 0.40
CYP1A2 P05177 3/20 0.40
CYP1B1 Q16678 3/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
CYP2A6 P11509 1/20 0.40
CFTR P13569 1/20 0.38
SMPD3 Q9NY59 1/20 0.36

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
SCHEMBL16159692 0.89 RAB9A (0.53) RAB9AHSP90AA1PDPK1SYKSRC
SCHEMBL16159732 0.87 RAB9A (0.41) RAB9AHSP90AA1PDPK1SYKSRC
SCHEMBL17704407 0.87 RAB9A (0.41) RAB9AHSP90AA1PDPK1SYKSRC
SCHEMBL4902877 0.84 RAB9A (0.61) RAB9AHSP90AA1PDPK1SYKSRC
SCHEMBL10013466 0.81 PDPK1 (0.55) RAB9AHSP90AA1PDPK1SYKSRC
SCHEMBL16159570 0.79 PDPK1 (0.55) RAB9AHSP90AA1PDPK1SYKSRC
SCHEMBL17704347 0.77 RAB9A (0.48) RAB9AHSP90AA1PDPK1SYKSRC
SCHEMBL16159428 0.76 RAB9A (0.46) RAB9AHSP90AA1PDPK1SYKSRC
SCHEMBL2730329 0.76 RAB9A (0.53) RAB9AHSP90AA1PDPK1SYKSRC
SCHEMBL16159356 0.76 PDPK1 (0.55) RAB9AHSP90AA1PDPK1LOXL2CYP2A6

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-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

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 3067/4885HSP90AA1 4394/4885PDPK1 4680/4885

“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.