SCHEMBL13487136

SCHEMBL13487136

CC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)c4ccc(-c5ccccc5)cc34)cccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.36
DHODH Q02127 1/20 0.34
GRM5 P41594 2/20 0.33
HTR2C P28335 1/20 0.32
BRD4 O60885 1/20 0.31
PRKDC P78527 1/20 0.31
TSHR P16473 2/20 0.30
HSD17B10 Q99714 2/20 0.30
MAPK1 P28482 1/20 0.30
KDR P35968 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 1/20 0.30
BACE1 P56817 1/20 0.30
HIF1A Q16665 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 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
SCHEMBL13487394 0.94 PDK2 (0.41) PDK2DHODHHTR2CBRD4KDM4E
SCHEMBL13487102 0.94 PDK2 (0.36) PDK2DHODHGRM5HTR2CBRD4
SCHEMBL13487322 0.91 KDM4E (0.35) PDK2DHODHHTR2CTSHRHSD17B10
SCHEMBL13487207 0.90 HTR2C (0.39) PDK2DHODHHTR2CBRD4PRKDC
SCHEMBL13487929 0.89 PDK2 (0.42) PDK2DHODHGRM5BRD4TSHR
SCHEMBL13487066 0.88 PDK2 (0.34) PDK2GRM5HTR2CHSD17B10KDM4E
SCHEMBL13487549 0.88 PDK2 (0.39) PDK2DHODHGRM5HTR2CTSHR
SCHEMBL13487353 0.87 PDK2 (0.41) PDK2DHODHHTR2CBRD4HSD17B10
SCHEMBL13488166 0.86 PDK2 (0.44) PDK2DHODHHTR2CBRD4BACE1
SCHEMBL13487109 0.86 PIK3CA (0.32) PDK2PIK3CA

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-20100045170-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-25 US disclosed
US-20100045170-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-25 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-20100045170-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, OCIAD2, ORMDL3 PDK2 1456/4885DHODH 354/4885GRM5 2570/4885

“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.