SCHEMBL21116480

SCHEMBL21116480

N#Cc1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccc(C#N)c(-n3c4ccccc4c4cc(C#N)ccc43)c2)ccc1C#N

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 8/20 0.38
PTGER4 P35408 2/20 0.38
ENPP3 O14638 1/20 0.36
IMPDH2 P12268 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
HRH1 P35367 1/20 0.34
HTR6 P50406 1/20 0.34
AR P10275 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL17772250 0.94 PTGER4 (0.40) RORCPTGER4ENPP3IMPDH2KDM4E
SCHEMBL21116882 0.93 RORC (0.40) RORCPTGER4IMPDH2KDM4EATM
SCHEMBL21116481 0.93 CYP11B1 (0.35) IMPDH2KDM4EARALDH1A1GLA
SCHEMBL22152558 0.93 KDM4E (0.36) RORCPTGER4ENPP3KDM4EATM
SCHEMBL22378326 0.93 STS (0.35) RORCPTGER4ENPP3IMPDH2CA1
SCHEMBL22379535 0.93 RORC (0.34) RORCPTGER4ENPP3IMPDH2CA1
SCHEMBL22153776 0.93 KDM4E (0.36) RORCPTGER4ENPP3KDM4EATM
SCHEMBL22152890 0.93 KDM4E (0.36) RORCPTGER4ENPP3KDM4EATM
SCHEMBL22153182 0.93 KDM4E (0.36) RORCPTGER4ENPP3KDM4EATM
SCHEMBL21599615 0.92 RORC (0.35) RORCPTGER4ENPP3IMPDH2HRH1

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-11136294-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-10-05 US disclosed
EP-3478656-B1 DICARBAZOLE DIPHENYL DERIVATIVES FOR USE IN OPTOPELECTRONIC DEVICES CYNORA GMBH (DE) 2021-09-08 EP disclosed
US-20190194130-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-06-27 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-20190194130-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, NOX3, ORC3 RORC 471/4885PTGER4 1872/4885ENPP3 2103/4885
US-11136294-B2 Organic molecules for use in optoelectronic devices OR10J3, ORC3, NOX3 RORC 501/4885PTGER4 2284/4885ENPP3 2212/4885

“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.