SCHEMBL14320950

SCHEMBL14320950

Nc1ccc2cc(C(=O)N3CCOCC3)ccc2c1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.57
HRH3 Q9Y5N1 1/20 0.55
HPGD P15428 5/20 0.55
PHGDH O43175 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.52
HSP90AA1 P07900 2/20 0.51
HSP90AB1 P08238 2/20 0.51
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
DNMT1 P26358 1/20 0.50
PTPN7 P35236 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GLA P06280 1/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
GAA P10253 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL6232060 0.86 L3MBTL3 (0.59) HRH3HPGDL3MBTL1LMNATSHR
SCHEMBL31428791 0.84 TSHR (0.68) PKMHPGDL3MBTL1LMNATSHR
SCHEMBL20021992 0.84 TSHR (0.68) PKMHPGDL3MBTL1LMNATSHR
SCHEMBL103440 0.84 PHGDH (0.69) PKMHPGDPHGDHL3MBTL1KMT2A
SCHEMBL4494826 0.83 HPGD (0.59) PKMHRH3HPGDPHGDHL3MBTL1
SCHEMBL16302094 0.82 HPGD (0.62) PKMHRH3HPGDPHGDHL3MBTL1
SCHEMBL30568869 0.81 L3MBTL1 (0.62) PKMHPGDL3MBTL1KMT2ATSHR
SCHEMBL520393 0.81 L3MBTL1 (0.62) PKMHPGDL3MBTL1KMT2ATSHR
SCHEMBL6052904 0.81 SMN1; SMN2 (0.52) PKMHPGDPHGDHPOLBLMNA
SCHEMBL546571 0.80 PKM (0.62) PKMHPGDPHGDHL3MBTL1HSP90AA1

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
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-9802937-B2 Substituted pyrazolo{4,3-D}pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-10-31 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-9499535-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2016-11-22 US disclosed
EP-2699572-B1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2016-08-10 EP disclosed
EP-2699579-B1 PYRAZOLO[4,3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-10-07 EP 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
CN-104230911-A 2, 6-diamino- pyrimidin- 5-yl-carboxamides compounds as SYK or JAK kinases inhibitors PORTOLA PHARM INC 2014-12-24 CN disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
WO-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
CN-103492389-A Pyrazolo [4, 3-d] pyrimidines useful as kinase inhibitors ORIGENIS GMBH 2014-01-01 CN disclosed
US-20120329785-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 US disclosed
US-20120329780-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 US disclosed
CN-102066339-A 2, 6-diamino-pyrimidin-5-yl-carboxamides as SYK or JAK protein kinase inhibitors PORTOLA PHARM INC 2011-05-18 CN 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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK PKM 761/4885HRH3 542/4885HPGD 4082/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK PKM 478/4885HRH3 662/4885HPGD 3245/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK PKM 761/4885HRH3 542/4885HPGD 4082/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK PKM 761/4885HRH3 542/4885HPGD 4082/4885
US-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 PKM 891/4885HRH3 1279/4885HPGD 4379/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK PKM 766/4885HRH3 592/4885HPGD 4156/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK PKM 766/4885HRH3 592/4885HPGD 4156/4885

“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.