SCHEMBL21883488

SCHEMBL21883488

Clc1nc(Cl)c2c(ncn2Cc2ccc(-c3ccccc3)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.50
CYP11B2 P19099 8/20 0.50
SMN1; SMN2 Q16637 3/20 0.40
YTHDC1 Q96MU7 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP17A1 P05093 1/20 0.39
PDE10A Q9Y233 1/20 0.39
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
TNF P01375 1/20 0.38
GAA P10253 1/20 0.38
MET P08581 1/20 0.37
IDO1 P14902 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL30496448 1.00 CYP11B1 (0.50) CYP11B1CYP11B2SMN1; SMN2YTHDC1ALDH1A1
SCHEMBL29601245 0.91 YTHDC1 (0.47) CYP11B1CYP11B2SMN1; SMN2YTHDC1ALDH1A1
SCHEMBL183167 0.91 YTHDC1 (0.47) CYP11B1CYP11B2SMN1; SMN2YTHDC1ALDH1A1
SCHEMBL15921469 0.80 P2RX7 (0.40) ALDH1A1METHDAC6
SCHEMBL30020920 0.80 MET (0.47) CYP11B1CYP11B2SMN1; SMN2YTHDC1ALDH1A1
SCHEMBL6900306 0.80 MET (0.47) CYP11B1CYP11B2SMN1; SMN2YTHDC1ALDH1A1
SCHEMBL29601391 0.77 MEN1 (0.46) KMT2A
SCHEMBL21883489 0.76 SMN1; SMN2 (0.56) CYP11B1CYP11B2SMN1; SMN2ALDH1A1KMT2A
SCHEMBL7009400 0.76 HDAC6 (0.41) CYP11B1CYP11B2SMN1; SMN2YTHDC1MAPK1
SCHEMBL3425599 0.76 ADORA2A (0.39) CYP11B1CYP11B2SMN1; SMN2YTHDC1ALDH1A1

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
US-20210214357-A1 HYPOXANTHINE COMPOUNDS KISSEI PHARMACEUTICAL CO., LTD. (JP) 2021-07-15 US 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 CYP11B1 842/4885CYP11B2 989/4885SMN1; SMN2 3418/4885

“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.