SCHEMBL19768533

SCHEMBL19768533

c1ccc(-c2ccc3ccc4c(-c5cccc(-c6ccc7ccc8ccc(-c9cccc(-c%10ccncc%10)c9)nc8c7n6)c5)ccc5ccc2c3c54)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.44
CLK1 P49759 2/20 0.43
CLK2 P49760 2/20 0.43
DYRK1A Q13627 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
GSK3B P49841 1/20 0.43
HIPK1 Q86Z02 1/20 0.43
HIPK4 Q8NE63 1/20 0.43
DYRK2 Q92630 1/20 0.43
HIPK2 Q9H2X6 1/20 0.43
HIPK3 Q9H422 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
PIK3CA P42336 2/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 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
SCHEMBL19768465 0.96 CLK1 (0.42) IMPDH2CLK1CLK2DYRK1ACLK4
SCHEMBL19768530 0.90 DYRK1A (0.43) CLK1CLK2DYRK1ACLK4GSK3B
SCHEMBL19768264 0.90 CYP1A2 (0.41) CLK1CLK2DYRK1ACLK4GSK3B
SCHEMBL21103667 0.87 PARP1 (0.41) IMPDH2CLK1CLK2CLK4HIPK1
SCHEMBL16483341 0.87 PIK3CA (0.45) IMPDH2CLK1CLK2DYRK1ACLK4
SCHEMBL16483048 0.87 PIK3CA (0.45) IMPDH2CLK1CLK2DYRK1ACLK4
SCHEMBL17899303 0.86 PARP1 (0.42) CLK1CLK2DYRK1ACLK4GSK3B
SCHEMBL17680326 0.85 PARP1 (0.43) CLK1CLK2DYRK1ACLK4HIPK1
SCHEMBL16483353 0.85 PIK3CA (0.48) IMPDH2CLK1CLK2DYRK1ACLK4
SCHEMBL13682475 0.85 PIK3CA (0.48) IMPDH2CLK1CLK2DYRK1ACLK4

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-20180019407-A1 PHENANTHROLINE DERIVATIVE, ELECTRONIC DEVICE CONTAINING SAME, LIGHT EMITTING ELEMENT, AND PHOTOELECTRIC CONVERSION ELEMENT TORAY INDUSTRIES, INC (JP) 2018-01-18 US disclosed
US-20180019407-A1 PHENANTHROLINE DERIVATIVE, ELECTRONIC DEVICE CONTAINING SAME, LIGHT EMITTING ELEMENT, AND PHOTOELECTRIC CONVERSION ELEMENT TORAY INDUSTRIES, INC (JP) 2018-01-18 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-20180019407-A1 PHENANTHROLINE DERIVATIVE, ELECTRONIC DEVICE CONTAINING SAME, LIGHT EMITTING ELEMENT, AND PHOTOELECTRIC CONVERSION ELEMENT SUN2, PAH, FARS2 IMPDH2 1658/4885CLK1 2455/4885CLK2 2012/4885

“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.