SCHEMBL20179314

SCHEMBL20179314

c1ccc(N(c2ccccc2)c2ccc3c(c2)[C@@]2(c4ccccc4-3)c3cc(N(c4ccccc4)c4ccccc4)ccc3-c3oc4ccccc4c32)cc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.33
ALOX5 P09917 1/20 0.31
NTRK1 P04629 1/20 0.30
PLK3 Q9H4B4 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
SCHEMBL20174744 1.00 PDK2 (0.33) PDK2ALOX5NTRK1PLK3
SCHEMBL20174750 1.00 PDK2 (0.33) PDK2ALOX5NTRK1PLK3
SCHEMBL20198890 1.00 PDK2 (0.33) PDK2ALOX5NTRK1PLK3
SCHEMBL20198893 0.99 PDK2 (0.33) PDK2ALOX5
SCHEMBL20174752 0.95 PDK2 (0.32) PDK2ALOX5
SCHEMBL20198920 0.95 PDK2 (0.31) PDK2
SCHEMBL20174781 0.95 KDM4E (0.31) PDK2
SCHEMBL20174751 0.95 PDK2 (0.32) PDK2ALOX5
SCHEMBL20174762 0.95 PDK2 (0.32) PDK2ALOX5
SCHEMBL20174766 0.95 PDK2 (0.32) PDK2ALOX5

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-11075342-B2 Spiro-type compound and organic light emitting diode comprising same LG CHEM, LTD. 2021-07-27 US disclosed
US-20180145261-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING DIODE 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 (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-11075342-B2 Spiro-type compound and organic light emitting diode comprising same CRY1, NR2E3, ALDH1A2 PDK2 580/4885ALOX5 2347/4885NTRK1 4589/4885
US-20180145261-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME CRY1, NR2E3, ALDH1A2 PDK2 580/4885ALOX5 2347/4885NTRK1 4589/4885

“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.