Sugi Predict

Sugi Predict / Compounds / SCHEMBL666401

SCHEMBL666401

SCHEMBL666401

O=[N+]([O-])c1cccc2snnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TXNRD1 Q16881 1/20 0.49
▸ TXNRD3 Q86VQ6 1/20 0.49
▸ TXNRD2 Q9NNW7 1/20 0.49
▸ PDE10A Q9Y233 1/20 0.46
▸ TDP1 Q9NUW8 3/20 0.44
▸ GPR35 Q9HC97 2/20 0.42
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ TSHR P16473 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ NOS1 P29475 2/20 0.41
▸ NOS2 P35228 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CYP2C19 P33261 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
SCHEMBL28713111 0.77 TSHR (0.37) TXNRD1TXNRD3TXNRD2PDE10ATDP1
Benzene SCHEMBL29270164 0.76 TXNRD1 (0.42) TXNRD1TXNRD3TXNRD2TDP1MEN1
SCHEMBL28487214 0.76 MEN1 (0.34) TXNRD1TXNRD3TXNRD2PDE10ATDP1
SCHEMBL28487213 0.75 NSD2 (0.33) MEN1KMT2ANSD2
SCHEMBL10666612 0.72 PDE10A (0.47) TXNRD1TXNRD3TXNRD2PDE10ATDP1
SCHEMBL7777578 0.71 PDE10A (0.50) TXNRD1TXNRD3TXNRD2PDE10ATDP1
SCHEMBL31122218 0.70 PDE10A (0.49) TXNRD1TXNRD3TXNRD2PDE10ATDP1
SCHEMBL1038877 0.70 TXNRD1 (0.47) TXNRD1TXNRD3TXNRD2PDE10ATDP1
SCHEMBL4920165 0.70 ALDH1A1 (0.50) TXNRD1TXNRD3TXNRD2PDE10ATDP1
SCHEMBL10426653 0.70 PDE10A (0.49) TXNRD1TXNRD3TXNRD2PDE10ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118745302-A Infrared invisible ink for anti-counterfeiting and anti-cross-goods and preparation method thereof 北京欣健隆科技有限公司 2024-10-08 — — CN disclosed
US-10822333-B2 Pyridopyrimidines derivatives compounds BIOLAB SANUS FARMACEUTICA LTDA (BR) 2020-11-03 — — US disclosed
US-20190218216-A1 PYRIDOPYRIMIDINES DERIVATIVES COMPOUNDS BIOLAB SANUS FARMACEUTICA LTDA (BR) 2019-07-18 — — US disclosed
US-10280162-B2 Pyridopyrimidines derivatives compounds BIOLAB SANUS FARMACEUTICA LTDA (BR) 2019-05-07 — — US disclosed
EP-3191099-B1 DERIVATIVES OF PYRIDOPYRIMIDINES BIOLAB SANUS FARMACEUTICA LTDA (BR) 2018-11-14 — — EP disclosed
US-20180111926-A2 NEW PYRIDOPYRIMIDINES DERIVATIVES COMPOUNDS BIOLAB SANUS FARMACEUTICA LTDA (BR) 2018-04-26 — — US disclosed
CN-107074847-A Novel pyridopyrimidine derivative compound 生物实验萨纽斯药物有限公司 2017-08-18 — — CN disclosed
EP-3191099-A2 DERIVATIVES OF PYRIDOPYRIMIDINES Biolab Sanus Farmacéutica Ltda (BR) 2017-07-19 — — EP disclosed
US-20160075702-A1 NEW PYRIDOPYRIMIDINES DERIVATIVES COMPOUNDS BIOLAB SANUS FARMACEUTICA LTDA (BR) 2016-03-17 — — US disclosed
US-8378104-B2 7-aminofuropyridine derivatives OSI Pharmaceuticals, LLC (US) 2013-02-19 — — US disclosed
EP-2534156-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI Pharmaceuticals, LLC (US) 2012-12-19 — — EP disclosed
US-20120046267-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2012-02-23 — — US disclosed
WO-2011100502-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI Pharmaceuticals, LLC (US) 2011-08-18 — — WO disclosed
US-20060122191-A1 N-(indolethyl-)cycloamine compounds MERCK PATENT GMBH (DE) 2006-06-08 — — US disclosed
EP-1572646-A1 N-(INDOLETHYL-)CACLOAMINE COMPOUNDS MERCK PATENT GmbH (DE) 2005-09-14 — — EP disclosed
WO-2004054972-A1 N-(INDOLETHYL-)CACLOAMINE COMPOUNDS MERCK PATENT GMBH (DE) 2004-07-01 — — WO disclosed
EP-0264954-B1 SILVER HALIDE PHOTOGRAPHIC MATERIAL HAVING SPECIFIC SILVER HALIDE STRUCTURE FUJI PHOTO FILM CO., LTD. (JP) 1993-04-07 — — EP 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 (7 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-20180111926-A2 NEW PYRIDOPYRIMIDINES DERIVATIVES COMPOUNDS PDE5A, PDE2A, PDE3A TXNRD1 2555/4885TXNRD3 3168/4885TXNRD2 2084/4885
US-10280162-B2 Pyridopyrimidines derivatives compounds PDE5A, PDE2A, PDE3A TXNRD1 2377/4885TXNRD3 2950/4885TXNRD2 1947/4885
US-20190218216-A1 PYRIDOPYRIMIDINES DERIVATIVES COMPOUNDS PDE5A, PDE2A, PDE3A TXNRD1 2377/4885TXNRD3 2950/4885TXNRD2 1947/4885
US-20160075702-A1 NEW PYRIDOPYRIMIDINES DERIVATIVES COMPOUNDS PDE5A, PDE2A, PDE3A TXNRD1 2555/4885TXNRD3 3168/4885TXNRD2 2084/4885
US-10822333-B2 Pyridopyrimidines derivatives compounds PDE5A, PDE2A, PDE3A TXNRD1 2377/4885TXNRD3 2950/4885TXNRD2 1947/4885
US-20060122191-A1 N-(indolethyl-)cycloamine compounds HTR1A, HTR2A, HTR5A TXNRD1 1507/4885TXNRD3 1621/4885TXNRD2 1260/4885
US-20120046267-A1 7-AMINOFUROPYRIDINE DERIVATIVES MAP3K5, STK17A, MAPKAPK5 TXNRD1 1593/4885TXNRD3 3019/4885TXNRD2 2252/4885

“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.