SCHEMBL22563468

SCHEMBL22563468

Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c(-n3c4ccc(-c5nc(C)nc(C)n5)cc4c4cc(-c5nc(C)nc(C)n5)ccc43)cc2C#N)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
ADORA2A P29274 3/20 0.36
ADORA1 P30542 3/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.34
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CSNK2A1 P68400 1/20 0.33
NTSR1 P30989 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
SCHEMBL22563471 0.98 NPSR1 (0.37) SQORNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL21278882 0.95 L3MBTL1 (0.36) SQORNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL19942772 0.94 L3MBTL1 (0.41) NPSR1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL19908970 0.93 SQOR (0.36) SQORNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL23487347 0.93 ADORA2A (0.37) SQORNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL23487304 0.92 SQOR (0.35) SQORNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL19942773 0.92 L3MBTL1 (0.40) NPSR1CYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL22563552 0.91 MEN1 (0.42) SQORNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL19913262 0.91 SQOR (0.34) SQORNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL22562237 0.90 TGFBR1 (0.37) SQORNPSR1CYP1A2CYP2C9CYP2C19

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 SQOR 412/4885NPSR1 1484/4885CYP1A2 600/4885

“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.