SCHEMBL16201579

SCHEMBL16201579

Cc1c(-c2nc3ccccc3n2-c2ccccc2)c(C)c(-c2nc3cccnc3n2-c2ccccc2)c(C)c1-c1nc2cccnc2n1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.51
HTT P42858 1/20 0.51
AKT1 P31749 7/20 0.48
AKT2 P31751 3/20 0.48
RECQL P46063 1/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
AKT3 Q9Y243 1/20 0.44
PRKACA P17612 1/20 0.44
RPS6KB1 P23443 1/20 0.44
GSK3B P49841 1/20 0.44
ROCK1 Q13464 1/20 0.44
PDE10A Q9Y233 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
PABPC1 P11940 1/20 0.43
TLR9 Q9NR96 1/20 0.43
GSR P00390 1/20 0.43

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
SCHEMBL13023888 1.00 MAPK1 (0.51) MAPK1HTTAKT1AKT2RECQL
SCHEMBL804898 0.93 AKT1 (0.53) MAPK1HTTAKT1AKT2AKT3
SCHEMBL13052984 0.90 AKT1 (0.53) MAPK1HTTAKT1AKT2AKT3
SCHEMBL804817 0.87 MAPK1 (0.66) MAPK1HTTRECQLESR1ESR2
SCHEMBL15437481 0.86 ESR1 (0.57) MAPK1HTTAKT1AKT2RECQL
SCHEMBL15197419 0.85 ESR1 (0.52) MAPK1HTTAKT1AKT2RECQL
SCHEMBL13023868 0.85 ESR1 (0.52) MAPK1HTTAKT1AKT2RECQL
SCHEMBL18082487 0.85 ESR1 (0.56) MAPK1HTTAKT1AKT2RECQL
SCHEMBL13943559 0.84 RECQL (0.52) MAPK1HTTAKT1AKT2RECQL
SCHEMBL13052950 0.82 AKT1 (0.59) AKT1AKT2AKT3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11171293-B2 Organic electroluminescent element, material for organic electroluminescent element, light emitting device, display device and lighting device each using said element, and compound used for said element UDC IRELAND LIMITED (IE) 2021-11-09 US disclosed
US-20140319507-A1 Organic Electroluminescent Element, Material for Organic Electroluminescent Element, Light Emitting Device, Display Device and Lighting Device Each Using Said Element, and Compound Used for Said Element UDC IRELAND LIMITED (IE) 2014-10-30 US disclosed
US-20140319507-A1 Organic Electroluminescent Element, Material for Organic Electroluminescent Element, Light Emitting Device, Display Device and Lighting Device Each Using Said Element, and Compound Used for Said Element UDC IRELAND LIMITED (IE) 2014-10-30 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-11171293-B2 Organic electroluminescent element, material for organic electroluminescent element, light emitting device, display device and lighting device each using said element, and compound used for said element L1CAM, OR10J3, INTS9 MAPK1 1514/4885HTT 4282/4885AKT1 1686/4885

“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.