SCHEMBL23476541

SCHEMBL23476541

Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2cccc3c2C(=O)N(c2cccc(-c4ccccc4)c2)C3=O)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 3/20 0.42
▸ PDE6D O43924 1/20 0.38
▸ HPSE Q9Y251 4/20 0.37
▸ TP53 P04637 1/20 0.36
▸ HSPA1A P0DMV8 1/20 0.36
▸ PABPC1 P11940 1/20 0.36
▸ HTT P42858 2/20 0.35
▸ FAAH O00519 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TNNI3 P19429 1/20 0.35

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
SCHEMBL19842702 0.97 TYMS (0.40) TYMSPDE6DHPSETP53HSPA1A
SCHEMBL19843248 0.94 TYMS (0.40) TYMSPDE6DHPSETP53HSPA1A
SCHEMBL19842696 0.92 TYMS (0.42) TYMSPDE6DHPSETP53HSPA1A
SCHEMBL19842906 0.92 PDE6D (0.40) TYMSPDE6DHPSETP53HSPA1A
SCHEMBL19843547 0.92 TYMS (0.40) TYMSPDE6DHPSETP53HSPA1A
SCHEMBL19843556 0.91 PDE6D (0.42) TYMSPDE6DHSPA1APABPC1HTT
SCHEMBL19843465 0.90 TYMS (0.47) TYMSPDE6DHPSEHTTALDH1A1
SCHEMBL19843536 0.90 TYMS (0.44) TYMSPDE6DHTTALDH1A1MEN1
SCHEMBL19843443 0.89 TYMS (0.39) TYMSPDE6DHPSETP53HSPA1A
SCHEMBL23476537 0.89 TYMS (0.44) TYMSPDE6DHTTALDH1A1MGLL

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 923/4885HPSE 3648/4885

“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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