SCHEMBL22563559

SCHEMBL22563559

Cc1cc(C)nc(-c2c(-n3c4ccccc4c4ccc(-c5ccc(C#N)cc5C#N)cc43)cc(C#N)cc2-n2c3ccccc3c3ccc(-c4ccc(C#N)cc4C#N)cc32)n1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.35
ABCG2 Q9UNQ0 3/20 0.35
STS P08842 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
GABRA1 P14867 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA2 P47869 2/20 0.32
ELANE P08246 1/20 0.32
GRM5 P41594 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32

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
SCHEMBL22563522 0.95 STS (0.34) ABCG2STSKMT2AFFAR4
SCHEMBL19943042 0.92 PTGER4 (0.37) PTGER4STSMEN1KMT2AATM
SCHEMBL22268551 0.92 STS (0.35) PTGER4ABCG2STSMEN1KMT2A
SCHEMBL22563455 0.92 GABRA1 (0.39) PTGER4ABCG2MEN1KMT2AGABRA1
SCHEMBL19909129 0.91 STS (0.34) PTGER4STSMEN1KMT2AATM
SCHEMBL23487300 0.90 STS (0.35) PTGER4ABCG2STSMEN1KMT2A
SCHEMBL23487696 0.89 STS (0.34) PTGER4ABCG2STSMEN1KMT2A
SCHEMBL23487284 0.89 GABRA1 (0.41) ABCG2MEN1KMT2AGABRA1GABRG2
SCHEMBL21278794 0.88 STS (0.32) PTGER4STSMEN1KMT2AATM
SCHEMBL22563504 0.88 ABCG2 (0.39) PTGER4ABCG2ELANEGRM5

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-20210175434-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2021-06-10 US disclosed
EP-3580300-B1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-10-21 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-20210175434-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, OR51E2, OCIAD2 PTGER4 1486/4885ABCG2 2612/4885STS 3725/4885

“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.