SCHEMBL17299598

SCHEMBL17299598

CC1(C)c2ccccc2-c2ccc3ccc4c5cc(-c6ccccn6)ccc5n(-c5ccccc5)c4c3c21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.33
MAPK14 Q16539 1/20 0.32
TNKS O95271 1/20 0.31
METAP2 P50579 1/20 0.31
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
NPY5R Q15761 1/20 0.31
GRIA1 P42261 1/20 0.31
GRIA3 P42263 1/20 0.31
PDE4D Q08499 1/20 0.31
GRM5 P41594 1/20 0.31
HTR2C P28335 1/20 0.31
PIM1 P11309 1/20 0.30
PIM3 Q86V86 1/20 0.30
BRD4 O60885 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
SCHEMBL17299523 0.88 PDK2 (0.32) PDK2
SCHEMBL18268528 0.85 PDK2 (0.35) PDK2MAPK14NPY5RGRM5HTR2C
SCHEMBL19196006 0.85 PDK2 (0.37) PDK2MAPK14METAP2HTR1AHTR7
SCHEMBL17299534 0.81 KDM4E (0.40)
SCHEMBL17299566 0.81 KDM4E (0.37)
SCHEMBL17989535 0.81 KDM4E (0.37)
SCHEMBL15860630 0.81 GRM5 (0.34) PDK2HTR1AHTR7GRM5BRD4
SCHEMBL25741166 0.80
SCHEMBL17299558 0.80 KDM4E (0.36)
SCHEMBL15860840 0.80 HTR1A (0.35) PDK2MAPK14METAP2HTR1AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10003031-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2018-06-19 US disclosed
US-10003031-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2018-06-19 US disclosed
US-20150349276-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2015-12-03 US disclosed
US-20150349276-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2015-12-03 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 (2 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-20150349276-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF ORAI2, ESR1, OR10J3 PDK2 1932/4885IRAK4 2693/4885MAPK14 2829/4885
US-10003031-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof ORAI2, ESR1, OR10J3 PDK2 1932/4885IRAK4 2693/4885MAPK14 2829/4885

“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.