Sugi Predict

Sugi Predict / Compounds / SCHEMBL1759558

SCHEMBL1759558

SCHEMBL1759558

OC[CH]c1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM5 P08912 1/20 0.52
▸ CYP1A2 P05177 3/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ GRIN1 Q05586 3/20 0.46
▸ GRIN2B Q13224 3/20 0.46
▸ GRIN2D O15399 2/20 0.46
▸ GRIN3B O60391 2/20 0.46
▸ GRIN2A Q12879 2/20 0.46
▸ GRIN2C Q14957 2/20 0.46
▸ GRIN3A Q8TCU5 2/20 0.46
▸ FBP1 P09467 2/20 0.44
▸ MAOB P27338 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CHAT P28329 1/20 0.43
▸ GRIK1 P39086 1/20 0.42
▸ GRIK2 Q13002 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CYP2D6 P10635 1/20 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
SCHEMBL1989041 0.80 CHRM5 (0.54) CHRM5CYP1A2CYP2C9GRIN1GRIN2B
SCHEMBL81748 0.79 CYP1A2 (0.56) CHRM5CYP1A2CYP2C9GRIN1GRIN2B
Ethylene Glycol SCHEMBL28617308 0.79 CYP1A2 (0.52) CHRM5CYP1A2CYP2C9GRIN1GRIN2B
SCHEMBL81747 0.79 CYP1A2 (0.56) CHRM5CYP1A2CYP2C9GRIN1GRIN2B
SCHEMBL29879797 0.79 CYP1A2 (0.56) CHRM5CYP1A2CYP2C9GRIN1GRIN2B
SCHEMBL24737367 0.79 CYP1A2 (0.56) CHRM5CYP1A2CYP2C9GRIN1GRIN2B
SCHEMBL3300271 0.79 CHRM5 (0.62) CHRM5CYP1A2CYP2C9GRIN1GRIN2B
SCHEMBL8702984 0.78 CHRM5 (0.52) CHRM5CYP1A2CYP2C9GRIN1GRIN2B
SCHEMBL23457217 0.78 CHRM5 (0.52) CHRM5CYP1A2CYP2C9GRIN1GRIN2B
SCHEMBL295147 0.77 CHRM5 (0.50) CHRM5CYP1A2CYP2C9GRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3672973-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS Innopharm (Shanghai) Ltd. (CN) 2020-07-01 — — EP claimed
WO-2019037640-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOPHARM (SHANGHAI) LTD (CN) 2019-02-28 — — WO claimed
EP-3337787-A1 PYRAZOLO FUSED HETEROCYCLIC COMPOUNDS AS ERK INHIBITORS Changzhou Jiekai Pharmatech Co. Ltd. (CN) 2018-06-27 — — EP claimed
WO-2017028314-A1 PYRAZOLO FUSED HETEROCYCLIC COMPOUNDS AS ERK INHIBITORS CHANGZHOU JIEKAI PHARMATECH CO., LTD. (CN) 2017-02-23 — — WO claimed
CN-116854662-A C 21 H 22 Cl 2 N 4 O 2 Is of the crystal form (B) 生物医学谷探索股份有限公司 2023-10-10 — — CN disclosed
EP-3672973-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS Innopharm (Shanghai) Ltd. (CN) 2020-07-01 — — EP disclosed
WO-2019037640-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOPHARM (SHANGHAI) LTD (CN) 2019-02-28 — — WO disclosed
EP-3337787-A1 PYRAZOLO FUSED HETEROCYCLIC COMPOUNDS AS ERK INHIBITORS Changzhou Jiekai Pharmatech Co. Ltd. (CN) 2018-06-27 — — EP disclosed
EP-3303335-A1 HETEROCYCLIC COMPOUNDS FOR TREATING PSORIASIS JS Innopharm (Shanghai) Ltd. (CN) 2018-04-11 — — EP disclosed
CN-107406413-A C21H22Cl2N4O2Crystal modification of 生物医学谷探索股份有限公司 2017-11-28 — — CN disclosed
US-9670177-B2 Crystalline C21H22Cl2N4O2 malonate BIOMED VALLEY DISCOVERIES, INC. (US) 2017-06-06 — — US disclosed
WO-2017028314-A1 PYRAZOLO FUSED HETEROCYCLIC COMPOUNDS AS ERK INHIBITORS CHANGZHOU JIEKAI PHARMATECH CO., LTD. (CN) 2017-02-23 — — WO disclosed
WO-2016192064-A1 HETEROCYCLIC COMPOUNDS FOR TREATING PSORIASIS JS INNOPHARM (SHANGHAI) LTD. (CN) 2016-12-08 — — WO disclosed
US-20160221988-A1 CRYSTALLINE C21H22Cl2N4O2 MALONATE BIOMED VALLEY DISCOVERIES, INC. 2016-08-04 — — US disclosed
US-8765728-B2 [1,5]-diazocin derivatives MELLITECH (FR) 2014-07-01 — — US disclosed
EP-2501685-A1 [1,5]-DIAZOCIN DERIVATIVES Mellitech (FR) 2012-09-26 — — EP disclosed
US-20120225892-A1 [1,5]-Diazocin Derivatives MELLITECH (FR) 2012-09-06 — — US disclosed
CN-102438990-A Substituted 2-acetamido-5-aryl-1, 2, 4-triazolones and use thereof BAYER SCHERING PHARMA AG 2012-05-02 — — CN disclosed
CN-102076650-A Carboxylic acid compound DAIICHI SANKYO CO LTD 2011-05-25 — — CN disclosed
WO-2011058193-A1 [1,5]-DIAZOCIN DERIVATIVES MELLITECH (FR) 2011-05-19 — — 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 (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-20160221988-A1 CRYSTALLINE C21H22Cl2N4O2 MALONATE MAL2, ME1, SLC22A11 CHRM5 4219/4885CYP1A2 1143/4885CYP2C9 368/4885
US-20120225892-A1 [1,5]-Diazocin Derivatives IAPP, INSR, GLP1R CHRM5 3253/4885CYP1A2 2743/4885CYP2C9 2937/4885

“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.