SCHEMBL23476522

SCHEMBL23476522

Cc1nc(C)nc(-c2ccc3c4ccc(-c5nc(C)nc(C)n5)cc4n(-c4cccc5c4C(=O)N(c4cc(-c6ccccc6)cc(-c6ccccc6)c4)C5=O)c3c2)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 3/20 0.40
▸ PDE6D O43924 1/20 0.38
▸ HSPA1A P0DMV8 1/20 0.34
▸ PABPC1 P11940 1/20 0.34
▸ HPSE Q9Y251 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TNNI3 P19429 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ TNNT2 P45379 1/20 0.33
▸ TNNC1 P63316 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HPGD P15428 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ L3MBTL1 Q9Y468 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
SCHEMBL19843468 0.97 TYMS (0.38) TYMSPDE6DHSPA1APABPC1HPSE
SCHEMBL19842696 0.94 TYMS (0.42) TYMSPDE6DHSPA1APABPC1HPSE
SCHEMBL19843554 0.94 PDE6D (0.44) TYMSPDE6DHSPA1APABPC1MEN1
SCHEMBL19843248 0.92 TYMS (0.40) TYMSPDE6DHSPA1APABPC1HPSE
SCHEMBL19843547 0.92 TYMS (0.40) TYMSPDE6DHSPA1APABPC1HPSE
SCHEMBL19843414 0.91 PDE6D (0.42) TYMSPDE6DHSPA1APABPC1MEN1
SCHEMBL19843270 0.90 TYMS (0.39) TYMSPDE6DMEN1LMNAKMT2A
SCHEMBL23476539 0.89 TYMS (0.44) TYMSPDE6DMEN1LMNAKMT2A
SCHEMBL19843463 0.89 TYMS (0.47) TYMSPDE6DHPSEMEN1LMNA
SCHEMBL19843588 0.88 TYMS (0.39) TYMSPDE6DMEN1LMNAKMT2A

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-20210171501-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-20210171501-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES L1CAM, OR10J3, AOX1 TYMS 2154/4885PDE6D 923/4885HSPA1A 2714/4885

“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.

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