SCHEMBL3274448

SCHEMBL3274448

O=[N+]([O-])c1ccc(-c2ncccn2)o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
KMT2A Q03164 3/20 0.49
GLA P06280 2/20 0.49
MEN1 O00255 2/20 0.49
USP2 O75604 1/20 0.49
GAA P10253 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
HPGD P15428 2/20 0.46
LMNA P02545 5/20 0.43
HTT P42858 2/20 0.43
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 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
SCHEMBL11884125 0.81 MAPT (0.47) KDM4EKMT2AGLAMEN1USP2
SCHEMBL11826941 0.81 MMP2 (0.41) KDM4EKMT2AGLAMEN1USP2
SCHEMBL11800551 0.81 HPGD (0.49) KDM4EKMT2AGLAMEN1USP2
SCHEMBL2069450 0.80 MMP2 (0.45) KDM4EKMT2AGLAMEN1USP2
SCHEMBL10643031 0.77 MMP2 (0.42) KDM4EKMT2AGLAMEN1USP2
SCHEMBL11826853 0.77 MMP2 (0.42) KDM4EKMT2AGLAMEN1USP2
SCHEMBL3293364 0.75 MMP2 (0.46) KDM4EKMT2AGLAMEN1USP2
SCHEMBL11838205 0.75 MMP2 (0.40) KDM4EKMT2AGLAMEN1USP2
SCHEMBL2464183 0.74 RAB9A (0.62) KDM4EKMT2AMEN1GAAHPGD
SCHEMBL18876477 0.73 MMP2 (0.50) KDM4EKMT2AMEN1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3362451-A1 INHIBITORS OF INFLUENZA VIRUS REPLICATION, APPLICATION METHODS AND USES THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2018-08-22 EP disclosed
WO-2017097234-A1 INHIBITORS OF INFLUENZA VIRUS REPLICATION, APPLICATION METHODS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-06-15 WO disclosed
EP-1335907-B1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB PUBL (SE) 2010-06-09 EP disclosed
CN-100451016-C Piperazinylpyrazine compounds as agonists or antagonists of serotonin 5ht-2 receptors BIOVITRUM AB (SE) 2009-01-14 CN disclosed
US-7247633-B2 Pyrimidine compounds and their use BIOVITRUM AB (SE) 2007-07-24 US disclosed
CN-1876648-A Piperazinylpyrazine compounds as agonists or antagonists of serotonin 5ht-2 receptors BIOVITRUM AB (SE) 2006-12-13 CN disclosed
CN-1267424-C Piperazinylpyrazine compounds as agonists or antagonists of the 5-hydroxytryptamine 5 HT-2 receptor BIOVITRUM AB (SE) 2006-08-02 CN disclosed
CN-1479727-A Piperazinylpyrazine compounds as agonists or antagonists of the 5-hydroxytryptamine 5 HT-2 receptor �Ȱ�ά����ķ�ɷݹ�˾ 2004-03-03 CN disclosed
US-20040014767-A1 Novel compounds and their use BIOVITRUM AB, A SWEDISH CORPORATION 2004-01-22 US disclosed
US-6593330-B2 Central nervous system disorders; antiserotonine agents BIOVITRUM (SE) 2003-07-15 US disclosed
US-20020147200-A1 Novel compounds and their use PROXIMAGEN NEUROSCIENCE PLC (GB) 2002-10-10 US 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-20020147200-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 KDM4E 1971/4885KMT2A 1705/4885GLA 508/4885
US-20040014767-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 KDM4E 1971/4885KMT2A 1705/4885GLA 508/4885

“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.