SCHEMBL25820837

SCHEMBL25820837

COC(=O)c1ccc(-c2ccnc(Cl)n2)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.48
MAPT P10636 4/20 0.47
POLB P06746 2/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 4/20 0.46
HTT P42858 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HPGD P15428 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM6B O15054 1/20 0.41
KDM5C P41229 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM2A Q9Y2K7 1/20 0.41
KDM3A Q9Y4C1 1/20 0.41
EIF2AK2 P19525 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
SCHEMBL25821003 0.82 KDM4E (0.46) MAPTMAPK1LMNAHTTALDH1A1
SCHEMBL22097649 0.81 KMO (0.48) MAPTLMNAHTTHPGDALDH1A1
SCHEMBL14059423 0.80 KDM4E (0.50) MAPTMAPK1HTTHPGDALDH1A1
SCHEMBL30863327 0.79 VCAM1 (0.66) VCAM1MAPTPOLBLMNAHPGD
SCHEMBL9503741 0.77 ALDH1A1 (0.59) VCAM1MAPTPOLBMAPK1LMNA
SCHEMBL14058999 0.77 ATR (0.43) MAPTHTTHPGDALDH1A1KDM4E
SCHEMBL16344984 0.76 VCAM1 (0.50) VCAM1MAPTPOLBMAPK1LMNA
SCHEMBL17197998 0.76 VCAM1 (0.61) VCAM1MAPTPOLBLMNAHPGD
SCHEMBL25338009 0.75 MEN1 (0.46) MAPTPOLBMAPK1LMNAHPGD
SCHEMBL16344978 0.75 VCAM1 (0.49) VCAM1MAPTPOLBMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203059-A1 MACROCYCLIC JAK INHIBITOR AND USES THEREOF BIOPOLAR HONGYE (NANTONG) PHARMACEUTICAL CO. LTD. (CN) 2023-06-29 US disclosed
US-20230203059-A1 MACROCYCLIC JAK INHIBITOR AND USES THEREOF BIOPOLAR HONGYE (NANTONG) PHARMACEUTICAL CO. LTD. (CN) 2023-06-29 US disclosed
EP-4159738-A1 MACROCYCLIC JAK INHIBITOR AND USES THEREOF Biopolar Hongye (Guangdong) Pharmaceutical Co. Ltd (CN) 2023-04-05 EP disclosed
WO-2021238818-A1 MACROCYCLIC JAK INHIBITOR AND USES THEREOF 百极弘烨(广东)医药科技有限公司 2021-12-02 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 (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-20230203059-A1 MACROCYCLIC JAK INHIBITOR AND USES THEREOF JAK3, JAK2, JAK1 VCAM1 3872/4885MAPT 2815/4885POLB 1968/4885

“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.