Sugi Predict

Sugi Predict / Compounds / SCHEMBL183167

SCHEMBL183167

SCHEMBL183167

Clc1nc(Cl)c2c(ncn2Cc2ccccc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ YTHDC1 Q96MU7 1/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ KMT2A Q03164 1/20 0.45
▸ CYP11B1 P15538 2/20 0.45
▸ CYP11B2 P19099 2/20 0.45
▸ TNF P01375 1/20 0.45
▸ HPGD P15428 1/20 0.44
▸ GAA P10253 2/20 0.43
▸ ADORA2B P29275 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ DPP4 P27487 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ PARN O95453 1/20 0.41
▸ CNOT7 Q9UIV1 1/20 0.41
▸ CNR2 P34972 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ PI4KA P42356 1/20 0.39
▸ PI4K2B Q8TCG2 1/20 0.39

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
SCHEMBL29601245 1.00 YTHDC1 (0.47) YTHDC1SMN1; SMN2ALDH1A1KMT2ACYP11B1
SCHEMBL30496448 0.91 CYP11B1 (0.50) YTHDC1SMN1; SMN2ALDH1A1KMT2ACYP11B1
SCHEMBL21883488 0.91 CYP11B1 (0.50) YTHDC1SMN1; SMN2ALDH1A1KMT2ACYP11B1
SCHEMBL3425599 0.83 ADORA2A (0.39) YTHDC1SMN1; SMN2ALDH1A1KMT2ACYP11B1
SCHEMBL30496453 0.83 ADORA2A (0.39) YTHDC1SMN1; SMN2ALDH1A1KMT2ACYP11B1
SCHEMBL6900306 0.81 MET (0.47) YTHDC1SMN1; SMN2ALDH1A1KMT2ACYP11B1
SCHEMBL30020920 0.81 MET (0.47) YTHDC1SMN1; SMN2ALDH1A1KMT2ACYP11B1
SCHEMBL15921469 0.81 P2RX7 (0.40) ALDH1A1ADORA2A
SCHEMBL5467085 0.81 PDE4A (0.53) YTHDC1SMN1; SMN2ALDH1A1KMT2ACYP11B1
SCHEMBL17144368 0.80 KMT2A (0.47) SMN1; SMN2ALDH1A1KMT2AGAATSHR

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220251085-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2022-08-11 — — US disclosed
EP-3997089-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF University Of Virginia Patent Foundation (US) 2022-05-18 — — EP disclosed
CN-109608462-B 7-alkyl-9-alkoxy/thiopurine-8-ketone compound, and synthesis method and application thereof in medicines 华南理工大学 2021-11-23 — — CN disclosed
WO-2021016263-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2021-01-28 — — WO disclosed
WO-2021016263-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2021-01-28 — — WO disclosed
EP-2402341-B1 Purinyl derivatives and their use as potassium channel modulators SANIONA AS (DK) 2017-10-25 — — EP disclosed
EP-2402341-B1 Purinyl derivatives and their use as potassium channel modulators SANIONA AS (DK) 2017-10-25 — — EP disclosed
EP-2142546-B1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS SANIONA AS (DK) 2017-06-07 — — EP disclosed
EP-2142546-B1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS SANIONA AS (DK) 2017-06-07 — — EP disclosed
US-9340544-B2 Purinyl derivatives and their use as potassium channel modulators ATAXION, INC. (US) 2016-05-17 — — US disclosed
EP-2132208-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NeuroSearch AS (DK) 2009-12-16 — — EP disclosed
WO-2008116909-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-10-02 — — WO disclosed
WO-2008116909-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-10-02 — — WO disclosed
WO-2008116911-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-10-02 — — WO disclosed
WO-2008116911-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-10-02 — — WO disclosed
US-20060234974-A1 2,6-Dihalogeno-8-substituent-purine compound and process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-10-19 — — US disclosed
EP-1595882-A1 2,6-DIHALOGENO-8-SUBSTITUENT-PURINE COMPOUND AND PROCESS FOR PRODUCING THE SAME Sumitomo Chemical Company, Limited (JP) 2005-11-16 — — EP disclosed
US-5583137-A Heterocyclic compounds for enhancing antitumor activity PFIZER INC. (US) 1996-12-10 — — US disclosed
EP-0626964-A1 HETEROCYCLIC COMPOUNDS FOR ENHANCING ANTITUMOR ACTIVITY PFIZER INC. (US) 1994-12-07 — — EP disclosed
WO-1993017021-A1 HETEROCYCLIC COMPOUNDS FOR ENHANCING ANTITUMOR ACTIVITY PFIZER, INC. (US) 1993-09-02 — — 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 (2 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-20220251085-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF DDB1, HSPBP1, ATIC YTHDC1 1621/4885SMN1; SMN2 4874/4885ALDH1A1 3044/4885
US-20060234974-A1 2,6-Dihalogeno-8-substituent-purine compound and process for producing the same HPRT1, TPMT, NUDT1 YTHDC1 250/4885SMN1; SMN2 3679/4885ALDH1A1 536/4885

“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.