SCHEMBL20174725

SCHEMBL20174725

c1ccc2c(c1)-c1cc(-c3ccc4ccc5ccncc5c4n3)ccc1C21c2ccccc2-c2c1oc1ccccc21

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.33
TDO2 P48775 2/20 0.33
TNF P01375 1/20 0.31
CLK1 P49759 1/20 0.31
DYRK1A Q13627 1/20 0.31
PIK3CD O00329 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 1/20 0.30
MAPK10 P53779 1/20 0.30
PDK2 Q15119 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
SCHEMBL20174401 0.86 GRM4 (0.33) GRM4PDK2
SCHEMBL20174429 0.81 GRM4 (0.34) GRM4PDK2
SCHEMBL20174414 0.80 ALDH1A1 (0.38) PDK2
SCHEMBL20174419 0.76 PDK2 (0.46) PDK2
SCHEMBL22326541 0.76 PDK2 (0.33) TDO2TNFPDK2
SCHEMBL20174364 0.75 KMT2A (0.39) PDK2
SCHEMBL20174376 0.75 MAPK14 (0.37) PDK2
SCHEMBL20174416 0.75 PDK2 (0.44) PIK3CDPIK3CGPDK2
SCHEMBL20174434 0.75 KDM4E (0.36) GRM4PDK2
SCHEMBL20174356 0.74 KMT2A (0.36)

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-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-24 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-20180141933-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG GRM4 1602/4885TDO2 3530/4885TNF 2328/4885

“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.