SCHEMBL12759604

SCHEMBL12759604

c1ccc(-c2cccc3c4ccccc4c4nccn4c23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.46
CCNE1 P24864 4/20 0.46
DYRK1B Q9Y463 3/20 0.41
CDK8 P49336 3/20 0.41
MAP4K4 O95819 2/20 0.41
CSF1R P07333 2/20 0.41
KDR P35968 2/20 0.41
ACVR1 Q04771 2/20 0.41
AURKB Q96GD4 2/20 0.41
ROCK1 Q13464 2/20 0.41
DYRK1A Q13627 2/20 0.41
CHEK1 O14757 1/20 0.41
PRKACA P17612 1/20 0.41
MAP2K1 Q02750 1/20 0.41
MAP4K2 Q12851 1/20 0.41
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
CLK4 Q9HAZ1 3/20 0.37
LTK P29376 2/20 0.37
LIMK1 P53667 2/20 0.37

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
SCHEMBL12759631 0.91 ADORA2A (0.41) CDK2CCNE1DYRK1BCDK8MAP4K4
SCHEMBL12759632 0.85 ADRA1A (0.39) CDK2CCNE1DYRK1BCDK8MAP4K4
SCHEMBL840165 0.85 DGAT1 (0.34) CDK2CCNE1CDK8KDRROCK1
SCHEMBL17557201 0.79 CDK2 (0.43) CDK2CCNE1DYRK1BCDK8MAP4K4
SCHEMBL840366 0.78 CDK8 (0.33) CDK2CCNE1DYRK1BCDK8MAP4K4
SCHEMBL12759635 0.77 CCNE1 (0.40) CDK2CCNE1DYRK1BCDK8MAP4K4
SCHEMBL12759637 0.75 CDK8 (0.32) CDK2CCNE1DYRK1BCDK8MAP4K4
SCHEMBL12759633 0.74 SMPD3 (0.36) DYRK1ACHEK1CLK4LIMK1KDM4E
SCHEMBL12759645 0.74 PDE3B (0.49) CDK2CCNE1DYRK1BCDK8MAP4K4
SCHEMBL24831858 0.74 ADORA2A (0.39) CDK2CCNE1DYRK1BCDK8MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150311455-A1 Method Of Forming Metal Complex Compound, And Organic Electroluminescence Device UDC IRELAND LTD (IE) 2015-10-29 US disclosed
US-20150311455-A1 Method Of Forming Metal Complex Compound, And Organic Electroluminescence Device UDC IRELAND LTD (IE) 2015-10-29 US disclosed
US-9062084-B2 Method of forming metal complex compound, and organic electroluminescence device UDC Ireland (IE) 2015-06-23 US disclosed
US-9062084-B2 Method of forming metal complex compound, and organic electroluminescence device UDC Ireland (IE) 2015-06-23 US disclosed
US-20110050093-A1 METHOD OF FORMING METAL COMPLEX COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2011-03-03 US disclosed
US-20110050093-A1 METHOD OF FORMING METAL COMPLEX COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2011-03-03 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-20110050093-A1 METHOD OF FORMING METAL COMPLEX COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE ZFR, PORCN, OR10J3 CDK2 1829/4885CCNE1 3406/4885DYRK1B 3930/4885
US-20150311455-A1 Method Of Forming Metal Complex Compound, And Organic Electroluminescence Device ZFR, PORCN, OR10J3 CDK2 1829/4885CCNE1 3406/4885DYRK1B 3930/4885

“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.