SCHEMBL21116882

SCHEMBL21116882

N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccc(C#N)c(-n4c5ccccc5c5cc(-c6ccc(C#N)cc6)ccc54)c3)ccc2C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 8/20 0.40
PTGER4 P35408 2/20 0.39
MAP4K4 O95819 1/20 0.35
IMPDH2 P12268 1/20 0.35
TNKS O95271 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KIF11 P52732 1/20 0.34
PGR P06401 1/20 0.34

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
SCHEMBL21116480 0.93 RORC (0.38) RORCPTGER4IMPDH2KDM4EATM
SCHEMBL28913586 0.93 GABRA1 (0.40) MAP4K4
SCHEMBL17772250 0.93 PTGER4 (0.40) RORCPTGER4IMPDH2KDM4E
SCHEMBL21116880 0.93 MAP4K4 (0.39) MAP4K4KIF11PGR
SCHEMBL17935005 0.92 PTGER4 (0.39) RORCPTGER4KDM4EATML3MBTL1
SCHEMBL21116510 0.92 CHEK1 (0.36) RORCPTGER4IMPDH2TNKSKDM4E
SCHEMBL21116546 0.92 TSPO (0.40) IMPDH2KDM4EATML3MBTL1
SCHEMBL21116855 0.91 RORC (0.34) RORCPTGER4MAP4K4IMPDH2KDM4E
SCHEMBL17934864 0.90 KDM4E (0.42) RORCPTGER4KDM4EATML3MBTL1
SCHEMBL17934865 0.90 KDM4E (0.44) RORCPTGER4KDM4EATML3MBTL1

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 1872/4885MAP4K4 3577/4885
US-11136294-B2 Organic molecules for use in optoelectronic devices OR10J3, ORC3, NOX3 RORC 501/4885PTGER4 2284/4885MAP4K4 3805/4885

“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.