Sugi Predict

Sugi Predict / Compounds / SCHEMBL1779446

SCHEMBL1779446

SCHEMBL1779446

CCOC(=O)n1nc(NC(=O)c2ccccc2[N+](=O)[O-])c2cc(C(=O)NC(C)(C)c3ccccc3)sc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.43
▸ GAA P10253 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MAPT P10636 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ P2RX1 P51575 1/20 0.37

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
SCHEMBL12603552 0.94 KDM4E (0.37) ALDH1A1GAASMN1; SMN2MAPTKDM4E
SCHEMBL1780753 0.90 ALDH1A1 (0.41) ALDH1A1GAASMN1; SMN2MAPTKDM4E
SCHEMBL1780658 0.89 ALDH1A1 (0.48) ALDH1A1GAASMN1; SMN2MAPTKDM4E
SCHEMBL1780180 0.88 KDM4E (0.38) ALDH1A1GAASMN1; SMN2MAPTKDM4E
SCHEMBL1779377 0.88 ALDH1A1 (0.47) ALDH1A1GAASMN1; SMN2MAPTKDM4E
SCHEMBL1779035 0.87 ABL1 (0.47) MAPTLMNA
SCHEMBL1778929 0.87 ABL1 (0.48) ALDH1A1MAPTKDM4ELMNAL3MBTL1
SCHEMBL1779397 0.87 ABL1 (0.49) ALDH1A1KDM4ELMNANPSR1L3MBTL1
SCHEMBL1778748 0.86 ABL1 (0.42) ALDH1A1SMN1; SMN2MAPTKDM4ERAB9A
SCHEMBL738735 0.84 KDM4E (0.43) ALDH1A1SMN1; SMN2MAPTKDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904503-B1 1H-THIENO[2,3-C]-PYRAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2013-11-06 — — EP disclosed
US-7943654-B2 1H-thieno[2,3-c]pyrazole compounds useful as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-05-17 — — US disclosed
US-7943654-B2 1H-thieno[2,3-c]pyrazole compounds useful as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-05-17 — — US disclosed
US-20090149457-A1 1H-Thieno[2,3-c]Pyrazole Compounds Useful as Kinase Inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-06-11 — — US disclosed
US-20090149457-A1 1H-Thieno[2,3-c]Pyrazole Compounds Useful as Kinase Inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-06-11 — — US disclosed
EP-1904503-A1 1H-THIENO[2,3-C]-PYRAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-04-02 — — EP disclosed
WO-2007009898-A1 1H-THIENO[2,3-C]PYRAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-01-25 — — 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-20090149457-A1 1H-Thieno[2,3-c]Pyrazole Compounds Useful as Kinase Inhibitors CCNH, PDK1, MAP3K5 ALDH1A1 3557/4885GAA 2580/4885SMN1; SMN2 4365/4885

“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.