SCHEMBL13723908

SCHEMBL13723908

COc1ccc(CCNC(=O)Cc2ccc(N)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.72
CA12 O43570 1/20 0.72
CA1 P00915 1/20 0.72
CA2 P00918 1/20 0.72
CA9 Q16790 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.61
HPGD P15428 1/20 0.61
MAPT P10636 1/20 0.60
PTPN1 P18031 2/20 0.58
POLB P06746 2/20 0.58
HTT P42858 1/20 0.58
EPHX2 P34913 1/20 0.56

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
SCHEMBL10568721 1.00 ALDH1A1 (0.72) ALDH1A1CA12CA1CA2CA9
SCHEMBL8691052 0.87 MAPT (0.76) ALDH1A1CA12CA1CA2CA9
SCHEMBL8201411 0.86 ALDH1A1 (0.68) ALDH1A1CA12CA1CA2CA9
SCHEMBL22664771 0.85 NPC1 (0.76) ALDH1A1CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL10570968 0.85 ALDH1A1 (0.67) ALDH1A1CA12CA1CA2CA9
SCHEMBL12773610 0.83 SMN1; SMN2 (0.75) ALDH1A1CA12CA1CA2CA9
SCHEMBL8015010 0.82 SMN1; SMN2 (0.69) ALDH1A1CA12CA1CA2CA9
SCHEMBL22664772 0.82 CA1 (0.69) ALDH1A1CA1CA2SMN1; SMN2HPGD
SCHEMBL6962982 0.82 CA1 (0.69) ALDH1A1CA1CA2SMN1; SMN2HPGD
SCHEMBL6095040 0.82 HTT (0.65) ALDH1A1CA12CA1CA2CA9

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 20 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
CN-103717597-B Heterocyclic compounds as kinase inhibitors 原真股份有限公司 2017-07-04 CN 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
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-2699579-A1 PYRAZOLO [4, 3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 EP disclosed
EP-2699572-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 EP 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
WO-2012143143-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 WO disclosed
WO-2012143144-A1 PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 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 ALDH1A1 4333/4885CA12 4858/4885CA1 4834/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK ALDH1A1 3674/4885CA12 4883/4885CA1 4868/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK ALDH1A1 4333/4885CA12 4858/4885CA1 4834/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK ALDH1A1 4333/4885CA12 4858/4885CA1 4834/4885
US-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 ALDH1A1 4394/4885CA12 4881/4885CA1 4868/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK ALDH1A1 4184/4885CA12 4853/4885CA1 4820/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK ALDH1A1 4184/4885CA12 4853/4885CA1 4820/4885

“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.