SCHEMBL1477035

SCHEMBL1477035

Nc1ccc(C2CCN(CC(F)(F)F)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.46
SLC18A3 Q16572 3/20 0.45
DRD2 P14416 4/20 0.41
TLR9 Q9NR96 3/20 0.41
TLR8 Q9NR97 3/20 0.41
TLR7 Q9NYK1 3/20 0.41
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
DCPS Q96C86 1/20 0.38
ESRRB O95718 1/20 0.38
ESRRG P62508 1/20 0.38

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
SCHEMBL9951848 0.84 DRD2 (0.46) SLC18A3DRD2TLR9TLR8TLR7
SCHEMBL15561604 0.83 SLC18A3 (0.49) SLC18A3DRD2TLR9TLR8TLR7
SCHEMBL15168408 0.83 SLC18A3 (0.47) KDM1ASLC18A3DRD2TLR9TLR8
SCHEMBL17308223 0.83 TLR9 (0.46) KDM1ASLC18A3DRD2TLR9TLR8
SCHEMBL17796576 0.83 TLR9 (0.40) KDM1ADRD2TLR9TLR8TLR7
SCHEMBL17306129 0.83 TLR9 (0.49) KDM1ASLC18A3DRD2TLR9TLR8
SCHEMBL4328829 0.81 DRD2 (0.49) KDM1ASLC18A3DRD2TLR9TLR8
SCHEMBL14320526 0.81 SIGMAR1 (0.46) SLC18A3DRD2
SCHEMBL25240806 0.81 MEN1 (0.44) KDM1ASLC18A3DRD2TLR9TLR8
SCHEMBL25281575 0.81 SLC18A3 (0.44) KDM1ASLC18A3DRD2TLR9TLR8

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 54 patents — showing the first 20. 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
US-7501411-B2 Triazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS, NV (BE) 2009-03-10 US disclosed
US-7501411-B2 Triazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS, NV (BE) 2009-03-10 US disclosed
US-20080090818-A1 Triazolopyrazine compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-04-17 US disclosed
US-20080090818-A1 Triazolopyrazine compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-04-17 US disclosed
US-20080090818-A1 Triazolopyrazine compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-04-17 US disclosed
WO-2007138072-A2 TRIAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2007-12-06 WO disclosed
US-20070281943-A1 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-06 US disclosed
US-20070281943-A1 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-06 US disclosed
US-20070281943-A1 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-06 US disclosed
WO-2007131991-A1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2007-11-22 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 (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 KDM1A 1770/4885SLC18A3 3057/4885DRD2 2752/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK KDM1A 2007/4885SLC18A3 3360/4885DRD2 2415/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK KDM1A 1770/4885SLC18A3 3057/4885DRD2 2752/4885
US-20070281943-A1 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases IKZF3, IRAK2, IRAK1 KDM1A 3916/4885SLC18A3 4761/4885DRD2 4445/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK KDM1A 1633/4885SLC18A3 3127/4885DRD2 2898/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK KDM1A 1633/4885SLC18A3 3127/4885DRD2 2898/4885
US-20080090818-A1 Triazolopyrazine compounds useful for the treatment of degenerative & inflammatory diseases P2RX5, P2RX3, IL1B KDM1A 4169/4885SLC18A3 4147/4885DRD2 3376/4885

“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.