SCHEMBL23476537

SCHEMBL23476537

Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2cccc3c2C(=O)N(c2ccccc2-c2ccccc2)C3=O)n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 1/20 0.44
▸ NR1H2 P55055 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ HTT P42858 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ PDCD1 Q15116 7/20 0.35
▸ CD274 Q9NZQ7 7/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ PDE6D O43924 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CASP3 P42574 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
SCHEMBL19843024 0.97 TYMS (0.42) TYMSNR1H2ALDH1A1HTTHSD17B10
SCHEMBL19843465 0.95 TYMS (0.47) TYMSNR1H2ALDH1A1HTTHSD17B10
SCHEMBL19843536 0.94 TYMS (0.44) TYMSNR1H2ALDH1A1HTTHSD17B10
SCHEMBL19843141 0.94 TYMS (0.41) TYMSNR1H2ALDH1A1HTTHSD17B10
SCHEMBL19843587 0.93 TYMS (0.39) TYMSNR1H2ALDH1A1HTTHSD17B10
SCHEMBL19843464 0.93 TYMS (0.45) TYMSNR1H2ALDH1A1HTTHSD17B10
SCHEMBL23476539 0.92 TYMS (0.44) TYMSNR1H2ALDH1A1HTTHSD17B10
SCHEMBL19848810 0.92 NR1H2 (0.45) TYMSNR1H2ALDH1A1HTTHSD17B10
SCHEMBL23476493 0.91 TYMS (0.39) TYMSNR1H2ALDH1A1HTTHSD17B10
SCHEMBL19842959 0.91 TYMS (0.42) TYMSNR1H2ALDH1A1HTTHSD17B10

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 2154/4885NR1H2 2382/4885ALDH1A1 20/4885

“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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