SCHEMBL17406458

SCHEMBL17406458

CC1(C)c2ccccc2-c2c1c1c(c3ccccc3n1-c1cccnc1)c1sc3ccccc3c21

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GFER P55789 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALOX12 P18054 1/20 0.31
PRKCB P05771 1/20 0.31
PRKCA P17252 1/20 0.31
GSK3B P49841 1/20 0.31
CYP17A1 P05093 1/20 0.30
CYP1A2 P05177 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
SCHEMBL17406375 0.94 GAA (0.33) GAAMAPTMAPK1HTTHSD17B10
SCHEMBL17406131 0.93 GAA (0.33) GAAMAPTMAPK1HTTHSD17B10
SCHEMBL17405572 0.93 GAA (0.33) GAAMAPTMAPK1HTTHSD17B10
SCHEMBL16275850 0.93 GAA (0.33) GAAMAPTMAPK1HTTHSD17B10
SCHEMBL17405419 0.91 GAA (0.33) GAAMAPTMAPK1HTTHSD17B10
SCHEMBL16275495 0.91 GAA (0.33) GAAMAPTMAPK1HTTHSD17B10
SCHEMBL17406449 0.91 DUSP3 (0.30)
SCHEMBL17405937 0.90 GAA (0.33) GAAMAPTMAPK1HTTHSD17B10
SCHEMBL17406441 0.89 ATM (0.33) GAAMAPTHSD17B10
SCHEMBL17406289 0.86 HTT (0.38) GAAMAPTMAPK1HTTHSD17B10

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-9887367-B2 Heterocyclic compound, material for organic electroluminescent elements using same, organic electroluminescent element using same, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2018-02-06 US disclosed
US-9887367-B2 Heterocyclic compound, material for organic electroluminescent elements using same, organic electroluminescent element using same, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2018-02-06 US disclosed
US-20160005977-A1 HETEROCYCLIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-01-07 US disclosed
US-20160005977-A1 HETEROCYCLIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-01-07 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-20160005977-A1 HETEROCYCLIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE ODC1, NOTUM, OR10J3 GAA 2846/4885MAPT 2869/4885MAPK1 3181/4885

“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.