SCHEMBL23487347

SCHEMBL23487347

Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2cc(C#N)c(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.37
ADORA1 P30542 4/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.35
SQOR Q9Y6N5 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NTSR1 P30989 1/20 0.34
MAPT P10636 1/20 0.34
CSNK2A1 P68400 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
SCHEMBL23487304 0.97 SQOR (0.35) ADORA2AADORA1NPSR1HPGDKDM4E
SCHEMBL19942612 0.94 L3MBTL1 (0.42) NPSR1HPGDKDM4EL3MBTL1CYP1A2
SCHEMBL22563468 0.93 SQOR (0.36) ADORA2AADORA1NPSR1HPGDKDM4E
SCHEMBL19909100 0.93 ADORA2A (0.36) ADORA2AADORA1NPSR1HPGDKDM4E
SCHEMBL23487306 0.91 MEN1 (0.43) ADORA2AADORA1NPSR1HPGDKDM4E
SCHEMBL22563471 0.91 NPSR1 (0.37) ADORA2AADORA1NPSR1HPGDKDM4E
SCHEMBL21108424 0.91 L3MBTL1 (0.40) NPSR1L3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL19919453 0.90 SQOR (0.34) ADORA2AADORA1NPSR1HPGDKDM4E
SCHEMBL21278882 0.90 L3MBTL1 (0.36) ADORA2AADORA1NPSR1HPGDKDM4E
SCHEMBL22563496 0.89 CSNK2A1 (0.38) ADORA2AADORA1NPSR1HPGDKDM4E

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 1 patent. 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

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 ADORA2A 4354/4885ADORA1 4564/4885NPSR1 1484/4885

“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.