SCHEMBL6780871

SCHEMBL6780871

Nc1ccc(C(=O)N2CCOCC2)cc1O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.59
HSP90AB1 P08238 2/20 0.59
PKM P14618 1/20 0.59
HPGD P15428 6/20 0.56
PHGDH O43175 1/20 0.55
KDM4E B2RXH2 2/20 0.52
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
POLB P06746 1/20 0.51
DNMT1 P26358 1/20 0.51
PTPN7 P35236 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
GLA P06280 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 1/20 0.50
ALDH1A1 P00352 1/20 0.50
AKR1C3 P42330 1/20 0.50

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
SCHEMBL546571 0.87 PKM (0.62) HSP90AA1HSP90AB1PKMHPGDPHGDH
Hydrochloric Acid SCHEMBL2947507 0.86 PKM (0.60) HSP90AA1HSP90AB1PKMHPGDPHGDH
SCHEMBL3371770 0.85 HSP90AA1 (0.68) HSP90AA1HSP90AB1PKMHPGDPHGDH
SCHEMBL5924169 0.85 HPGD (0.58) HPGDKDM4EL3MBTL1ALDH1A1
SCHEMBL5924363 0.84 HPGD (0.61) HPGDKDM4EL3MBTL1SMN1; SMN2GAA
SCHEMBL15652845 0.83 PKM (0.75) PKMHPGDPHGDHKDM4EKMT2A
SCHEMBL2376730 0.83 HPGD (0.67) HSP90AA1HSP90AB1PKMHPGDPHGDH
SCHEMBL15652033 0.83 KMT2A (0.64) HSP90AA1HSP90AB1PKMHPGDPHGDH
SCHEMBL8280049 0.83 PKM (0.57) HSP90AA1HSP90AB1PKMHPGDPHGDH
SCHEMBL9996606 0.81 HSP90AA1 (0.59) HSP90AA1HSP90AB1PKMHPGDPHGDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 US disclosed
WO-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
EP-1299395-B1 OXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS UPJOHN CO (US) 2004-09-15 EP disclosed
US-6673793-B2 N-(4-CHLOROBENZYL)-9-(MORPHOLIN-4-YLMETHYL)-7-OXO-2-(S)-PYRIDIN-2-YL-2,3-DIHYDRO-7H-(1,4) OXAZINO(2,3,4-IJ)QUINOLINE-6-CARBOXAMIDE, FOR EXAMPLE; INHIBITING A VIRAL DNA POLYMERASE; TREATING VIRUSES OF HERPES FAMILY PHARMACIA & UPJOHN CO. 2004-01-06 US disclosed
EP-1299395-A1 OXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2003-04-09 EP disclosed
US-20020103170-A1 Oxazinoquinolones useful for the treatment of viral infections PHARMACIA & UPJOHN COMPANY 2002-08-01 US disclosed
WO-2002004462-A1 OXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 2002-01-17 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 (6 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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK HSP90AA1 1827/4885HSP90AB1 1352/4885PKM 761/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK HSP90AA1 2677/4885HSP90AB1 2097/4885PKM 478/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK HSP90AA1 1827/4885HSP90AB1 1352/4885PKM 761/4885
US-20020103170-A1 Oxazinoquinolones useful for the treatment of viral infections ZC3HAV1, RPL5, ZC3HAV1L HSP90AA1 1652/4885HSP90AB1 1293/4885PKM 3999/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK HSP90AA1 1768/4885HSP90AB1 1288/4885PKM 766/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK HSP90AA1 1768/4885HSP90AB1 1288/4885PKM 766/4885

“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.