SCHEMBL13487459

SCHEMBL13487459

Cc1ccc2c(-c3ccc(C#N)cc3)c3ccccc3c(-c3ccc4c(c3)-c3ccccc3C4(C)C)c2c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.38
PGR P06401 1/20 0.38
ALK Q9UM73 6/20 0.36
GRM2 Q14416 1/20 0.35
ALDH1A1 P00352 2/20 0.33
CYP2A6 P11509 1/20 0.33
PADI4 Q9UM07 1/20 0.33
ATM Q13315 1/20 0.32
AR P10275 1/20 0.32
PDE9A O76083 1/20 0.32
PDE1C Q14123 1/20 0.32
TNKS O95271 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
SCHEMBL13487843 0.93 PDK2 (0.43) PDK2PGRALKGRM2ALDH1A1
SCHEMBL13487752 0.89 PDK2 (0.46) PDK2PGRALKALDH1A1ATM
SCHEMBL13487526 0.89 PDK2 (0.43) PDK2PGRALKALDH1A1ATM
SCHEMBL13487047 0.88 PGR (0.37) PDK2PGRALKGRM2ALDH1A1
SCHEMBL13487693 0.86 PDK2 (0.38) PDK2PGRALKPDE9A
SCHEMBL13487610 0.86 MCL1 (0.37) PDK2PGRALK
SCHEMBL13488140 0.85 PDK2 (0.48) PDK2PGRALKALDH1A1ATM
SCHEMBL13487437 0.85 PDK2 (0.40) PDK2PGRGRM2ALDH1A1
SCHEMBL13650953 0.85 PDK2 (0.37) PDK2PGR
SCHEMBL13170823 0.84 PDK2 (0.49) PDK2PGRALKALDH1A1ATM

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 1456/4885PGR 4215/4885ALK 1592/4885

“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.