SCHEMBL20735949

SCHEMBL20735949

c1ccc2c(c1)-c1ccccc1C21c2cc3ccccc3cc2-c2ccc3cc(-c4ccc5ccc6cccnc6c5n4)ccc3c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.36
CCR1 P32246 2/20 0.33
CCR5 P51681 2/20 0.33
CCR8 P51685 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MMP2 P08253 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
MMP9 P14780 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
MMP8 P22894 1/20 0.33
THPO P40225 1/20 0.33

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
SCHEMBL20737693 0.97 PDK2 (0.35) PDK2CCR1CCR5CCR8SMN1; SMN2
SCHEMBL20735943 0.96 PDK2 (0.34) PDK2CCR1CCR5CCR8SMN1; SMN2
SCHEMBL20736072 0.95 PDK2 (0.35) PDK2CCR1CCR5CCR8SMN1; SMN2
SCHEMBL20737694 0.94 PDK2 (0.33) PDK2CCR1CCR5CCR8SMN1; SMN2
SCHEMBL20736004 0.92 PDK2 (0.35) PDK2CCR1CCR5CCR8SMN1; SMN2
SCHEMBL20736071 0.91 PDK2 (0.33) PDK2CCR1CCR5CCR8SMN1; SMN2
SCHEMBL20736459 0.90 CCR1 (0.36) PDK2CCR1CCR5CCR8SMN1; SMN2
SCHEMBL20736002 0.89 PDK2 (0.32) PDK2CCR1CCR5CCR8SMN1; SMN2
SCHEMBL20735886 0.88 SMN1; SMN2 (0.39) PDK2CCR1CCR5CCR8SMN1; SMN2
SCHEMBL20736469 0.88 PDK2 (0.35) PDK2CCR1CCR5CCR8SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12022728-B2 Organic electroluminescent element and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2024-06-25 US disclosed
US-11552251-B2 Organic electroluminescent element and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2023-01-10 US disclosed
US-20190051835-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2019-02-14 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 (3 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-11552251-B2 Organic electroluminescent element and electronic device L1CAM, ESR1, LEF1 PDK2 2420/4885CCR1 1730/4885CCR5 3344/4885
US-20190051835-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE L1CAM, ESR1, LEF1 PDK2 2420/4885CCR1 1730/4885CCR5 3344/4885
US-12022728-B2 Organic electroluminescent element and electronic device L1CAM, ESR1, LEF1 PDK2 2420/4885CCR1 1730/4885CCR5 3344/4885

“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.