SCHEMBL22563471

SCHEMBL22563471

Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c(-n3c4ccccc4c4cc(-c5nc(C)nc(C)n5)ccc43)cc2C#N)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
SQOR Q9Y6N5 4/20 0.35
ADORA2A P29274 3/20 0.35
ADORA1 P30542 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
PTGER4 P35408 1/20 0.34
NPY5R Q15761 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CSNK2A1 P68400 1/20 0.32
CTSK P43235 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
SCHEMBL22563468 0.98 SQOR (0.36) NPSR1CYP1A2CYP2C9CYP2C19SQOR
SCHEMBL23487304 0.94 SQOR (0.35) NPSR1CYP1A2CYP2C9CYP2C19SQOR
SCHEMBL19942773 0.94 L3MBTL1 (0.40) NPSR1CYP1A2CYP2C9CYP2C19PTGER4
SCHEMBL19913262 0.93 SQOR (0.34) NPSR1CYP1A2CYP2C9CYP2C19SQOR
SCHEMBL21278882 0.93 L3MBTL1 (0.36) NPSR1CYP1A2CYP2C9CYP2C19SQOR
SCHEMBL22563450 0.92 MEN1 (0.40) NPSR1CYP1A2CYP2C9CYP2C19SQOR
SCHEMBL19942772 0.92 L3MBTL1 (0.41) NPSR1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL19908970 0.91 SQOR (0.36) NPSR1CYP1A2CYP2C9CYP2C19SQOR
SCHEMBL23487347 0.91 ADORA2A (0.37) NPSR1CYP1A2CYP2C9CYP2C19SQOR
SCHEMBL22563710 0.90 SQOR (0.36) NPSR1CYP1A2CYP2C9CYP2C19SQOR

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 NPSR1 1484/4885CYP1A2 600/4885CYP2C9 336/4885

“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.