SCHEMBL14320394

SCHEMBL14320394

Nc1cccc(-c2cccc(N3CCOCC3)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.56
LMNA P02545 1/20 0.53
JAK2 O60674 1/20 0.53
LRRK2 Q5S007 1/20 0.52
LGMN Q99538 1/20 0.51
KMO O15229 1/20 0.51
PIK3CA P42336 6/20 0.50
MTOR P42345 3/20 0.50
AR P10275 1/20 0.50
ADRA2C P18825 1/20 0.50
PIK3CD O00329 2/20 0.49
PIK3CG P48736 2/20 0.49
DHFR P00374 1/20 0.49
PIK3CB P42338 1/20 0.48
PRKDC P78527 1/20 0.48
HTR1A P08908 1/20 0.47
HTR7 P34969 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL14320480 0.92 JAK2 (0.55) AGXTLMNAJAK2LRRK2LGMN
Aniline SCHEMBL28843768 0.91 LMNA (0.53) AGXTLMNAJAK2LRRK2LGMN
SCHEMBL14320753 0.90 AGXT (0.54) AGXTLMNAJAK2LRRK2LGMN
SCHEMBL224567 0.89 ADRA2C (0.61) AGXTLMNAJAK2LGMNKMO
SCHEMBL6992774 0.89 ADRA2C (0.61) AGXTLMNAJAK2LGMNKMO
SCHEMBL29371026 0.89 ADRA2C (0.61) AGXTLMNAJAK2LGMNKMO
Hydrochloric Acid SCHEMBL14742169 0.87 ADRA2C (0.59) AGXTLMNAJAK2LGMNKMO
SCHEMBL11210288 0.86 LMNA (0.68) AGXTLMNALRRK2KMOAR
SCHEMBL27329825 0.81 LMNA (0.71) AGXTLMNALGMNKMOPIK3CA
SCHEMBL15571300 0.80 LMNA (0.55) AGXTLMNAJAK2LGMNPIK3CA

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 12 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
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

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 AGXT 4050/4885LMNA 3015/4885JAK2 60/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK AGXT 4228/4885LMNA 3243/4885JAK2 48/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK AGXT 4050/4885LMNA 3015/4885JAK2 60/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK AGXT 4050/4885LMNA 3015/4885JAK2 60/4885
US-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 AGXT 3880/4885LMNA 3020/4885JAK2 73/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK AGXT 3885/4885LMNA 3115/4885JAK2 37/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK AGXT 3885/4885LMNA 3115/4885JAK2 37/4885

“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.