SCHEMBL23476523

SCHEMBL23476523

Cc1nc(C)nc(-c2cccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4c(-c6ccccc6)cccc4-c4ccccc4)C5=O)c23)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 2/20 0.35
▸ PDE6D O43924 1/20 0.35
▸ DUSP3 P51452 1/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ POLB P06746 1/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ LMNA P02545 3/20 0.34
▸ HTT P42858 3/20 0.34
▸ USP2 O75604 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TNNI3 P19429 1/20 0.34
▸ TNNT2 P45379 1/20 0.34
▸ TNNC1 P63316 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ S1PR2 O95136 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
SCHEMBL19843553 0.95 TYMS (0.37) TYMSPDE6DMEN1KMT2APOLB
SCHEMBL19843256 0.94 TYMS (0.37) TYMSPDE6DDUSP3MEN1KMT2A
SCHEMBL19842963 0.93 NR1H2 (0.43) TYMSPDE6DDUSP3MEN1KMT2A
SCHEMBL19843184 0.91 TYMS (0.37) TYMSPDE6DDUSP3MEN1KMT2A
SCHEMBL19843257 0.89 TYMS (0.39) TYMSPDE6DMEN1KMT2APOLB
SCHEMBL19843402 0.89 PDE6D (0.46) TYMSPDE6DDUSP3MEN1KMT2A
SCHEMBL19843474 0.88 TYMS (0.46) TYMSPDE6DMEN1KMT2APOLB
SCHEMBL19843555 0.88 TYMS (0.37) TYMSPDE6DMEN1KMT2APOLB
SCHEMBL19843589 0.88 TYMS (0.37) TYMSPDE6DMEN1KMT2APOLB
SCHEMBL19842466 0.88 DUSP3 (0.41) TYMSPDE6DDUSP3MEN1KMT2A

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 923/4885DUSP3 4730/4885

“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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