SCHEMBL21395908

SCHEMBL21395908

N#Cc1cccc(-c2ccc3oc4ccc(-c5cc6cccnc6c6ncccc56)cc4c3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.46
PDE4D Q08499 7/20 0.44
PDE4A P27815 4/20 0.44
PDE4C Q08493 4/20 0.44
PGR P06401 2/20 0.44
MAP4K4 O95819 1/20 0.43
ADORA2A P29274 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
PDE4B Q07343 2/20 0.40
NEK1 Q96PY6 1/20 0.40
KIT P10721 1/20 0.39
GRM5 P41594 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL21395909 0.91 PGR (0.40) PDE4DPDE4APDE4CPGRMAP4K4
SCHEMBL21396190 0.91 PGR (0.40) PDE4DPDE4APDE4CPGRMAP4K4
SCHEMBL21396131 0.89 CCR1 (0.37) CLK4PDE4DPDE4APDE4CPGR
SCHEMBL21396192 0.89 PGR (0.40) PDE4DPDE4APDE4CPGRMAP4K4
SCHEMBL16697977 0.86 CCR1 (0.49) PDE4DALDH1A1CYP3A4KDM4EMEN1
SCHEMBL31285974 0.86 CCR1 (0.49) PDE4DALDH1A1CYP3A4KDM4EMEN1
SCHEMBL23331492 0.82 MAPT (0.46) PDE4DALDH1A1KDM4EMEN1HPGD
SCHEMBL20726665 0.81 MAPT (0.40) PDE4DPDE4AALDH1A1KDM4EMEN1
SCHEMBL21395747 0.81 CYP17A1 (0.44) CLK4PDE4DPDE4APDE4CPGR
SCHEMBL16561044 0.80 FABP1 (0.42) CLK4PDE4DPDE4APDE4CADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190292169-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 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-20190292169-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME LAGE3, PPOX, SUN2 CLK4 699/4885PDE4D 3994/4885PDE4A 4260/4885

“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.