SCHEMBL13724486

SCHEMBL13724486

NC(=O)c1cnc(N)nc1N1CCCN(CCO)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 2/20 0.44
▸ ROCK2 O75116 3/20 0.43
▸ ROCK1 Q13464 3/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PDE4B Q07343 2/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ SIRT1 Q96EB6 1/20 0.40
▸ SIRT3 Q9NTG7 1/20 0.40
▸ HRH4 Q9H3N8 1/20 0.40
▸ TSHR P16473 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HRH1 P35367 1/20 0.36

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
Formamide SCHEMBL28832664 0.96 ROCK2 (0.43) SYKROCK2ROCK1MEN1CYP3A4
SCHEMBL1073886 0.74 SYK (0.64) SYK
SCHEMBL14320787 0.74 CDK8 (0.47) KMT2AKDM4EALDH1A1HTT
SCHEMBL15598761 0.74 POLB (0.49) MEN1KMT2AHRH4KDM4EALDH1A1
SCHEMBL7708469 0.70 ROCK2 (0.49) ROCK2ROCK1MEN1KMT2AHRH4
SCHEMBL12809767 0.69 SYK (0.43) SYKROCK2ROCK1MEN1CYP3A4
SCHEMBL7708586 0.69 KDM4E (0.46) ROCK2ROCK1MEN1KMT2AHRH4
SCHEMBL7712423 0.68 HTR2A (0.44) ROCK2ROCK1MEN1KMT2APDE4B
SCHEMBL3248485 0.68 KDM4E (0.46) ROCK2ROCK1MEN1KMT2AHRH4
SCHEMBL13724515 0.68 MAP4K1 (0.39) SYKROCK2

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 14 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
EP-2699572-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 — — EP disclosed
US-20120329780-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 — — US disclosed
US-20120329785-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

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 SYK 11/4885ROCK2 80/4885ROCK1 82/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK SYK 9/4885ROCK2 258/4885ROCK1 225/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK SYK 11/4885ROCK2 80/4885ROCK1 82/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK SYK 11/4885ROCK2 80/4885ROCK1 82/4885
US-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 SYK 7/4885ROCK2 78/4885ROCK1 102/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK SYK 9/4885ROCK2 84/4885ROCK1 90/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK SYK 9/4885ROCK2 84/4885ROCK1 90/4885

“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.

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