SCHEMBL18360982

SCHEMBL18360982

N#Cc1ccc(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)c(-c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 8/20 0.39
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
METAP2 P50579 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
CYP19A1 P11511 1/20 0.34
PTGER4 P35408 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.32
PER2 O15055 2/20 0.32
CRY1 Q16526 2/20 0.32
CRY2 Q49AN0 2/20 0.32
ENPP3 O14638 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL18374183 0.95 RORC (0.41) RORCGABRA1GABRG2GABRB3GABRA5
SCHEMBL18361189 0.95 RORC (0.41) RORCGABRA1GABRG2GABRB3GABRA5
SCHEMBL18360983 0.92 GABRA1 (0.37) RORCGABRA1GABRG2GABRB3GABRA5
SCHEMBL28885537 0.91 RORC (0.39) RORCGABRA1GABRG2GABRB3GABRA5
SCHEMBL28885533 0.91 RORC (0.36) RORCGABRA1GABRG2GABRB3GABRA5
SCHEMBL24002726 0.89 RORC (0.41) RORCPTGDR2PTGER4ABCG2PER2
SCHEMBL28885535 0.89 RORC (0.41) RORCPTGER4ABCG2PER2CRY1
SCHEMBL20061242 0.88 RORC (0.41) RORCPTGER4PER2CRY1CRY2
SCHEMBL18522528 0.87 RORC (0.41) RORCPTGER4PER2CRY1CRY2
SCHEMBL30490544 0.87 METAP2 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180198075-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-07-12 US disclosed
US-20180198075-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-07-12 US disclosed
WO-2017005698-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2017-01-12 WO disclosed
EP-3113239-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES cynora GmbH (DE) 2017-01-04 EP 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-20180198075-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES C1R, ORC3, OR10J3 RORC 2267/4885GABRA1 1523/4885GABRG2 2383/4885

“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.