SCHEMBL21883541

SCHEMBL21883541

CCOC(=O)c1cnn(-c2nc(OC)c3ncn(Cc4ccc(OC)cc4)c3n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.44
ALKBH1 Q13686 1/20 0.44
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42
TUBB2B Q9BVA1 1/20 0.42
TUBB1 Q9H4B7 1/20 0.42
UCHL1 P09936 1/20 0.41
TP53 P04637 1/20 0.41
NR3C1 P04150 2/20 0.41

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
SCHEMBL30496460 1.00 ADORA2A (0.44) ADORA2AALKBH1TUBB4ATUBBTUBA3C
SCHEMBL21883519 0.86 ALKBH1 (0.44) ADORA2AALKBH1TUBB4ATUBBTUBA3C
SCHEMBL30020902 0.86 ALKBH1 (0.44) ADORA2AALKBH1TUBB4ATUBBTUBA3C
SCHEMBL21883964 0.83 SMN1; SMN2 (0.41) ADORA2AALKBH1HPGDALDH1A1ADORA3
SCHEMBL30496441 0.83 SMN1; SMN2 (0.41) ADORA2AALKBH1HPGDALDH1A1ADORA3
SCHEMBL21883963 0.83 DAPK1 (0.44) ADORA2AALKBH1ALDH1A1ADORA3ADORA1
SCHEMBL30496472 0.83 DAPK1 (0.44) ADORA2AALKBH1ALDH1A1ADORA3ADORA1
SCHEMBL23322497 0.83 ALKBH1 (0.40) ADORA2AALKBH1HPGDADORA3ADORA1
SCHEMBL30496470 0.83 ALKBH1 (0.40) ADORA2AALKBH1HPGDADORA3ADORA1
SCHEMBL17025300 0.82 UCHL1 (0.43) ALKBH1TUBB4ATUBBTUBA3CTUBA1B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112673008-B Hypoxanthine compounds 橘生药品工业株式会社 2023-07-18 CN disclosed
US-20210214357-A1 HYPOXANTHINE COMPOUNDS KISSEI PHARMACEUTICAL CO., LTD. (JP) 2021-07-15 US disclosed
EP-3819299-A1 HYPOXANTHINE COMPOUND KISSEI PHARMACEUTICAL CO., LTD. (JP) 2021-05-12 EP disclosed
CN-112673008-A Hypoxanthine compound 橘生药品工业株式会社 2021-04-16 CN disclosed
WO-2020054825-A1 HYPOXANTHINE COMPOUND キッセイ薬品工業株式会社 2020-03-19 WO 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-20210214357-A1 HYPOXANTHINE COMPOUNDS HPRT1, DHPS, PAH ADORA2A 2291/4885ALKBH1 89/4885TUBB4A 4473/4885

“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.