SCHEMBL13724424

SCHEMBL13724424

Nc1ncc(F)c(N2CCNCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.49
▸ HRH4 Q9H3N8 12/20 0.47
▸ KDM4E B2RXH2 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL18072397 0.80 HRH4 (0.52) HRH3HRH4TSHR
SCHEMBL14541937 0.80 KDM4E (0.69) HRH4KDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL14320578 0.79 KDM4E (0.42) HRH3HRH4KDM4EMAPT
SCHEMBL13732517 0.77 PDE10A (0.41) HRH4KDM4ESMN1; SMN2
SCHEMBL13725336 0.77 PIM1 (0.34) HRH3HRH4ALDH1A1HPGD
SCHEMBL28125318 0.76 HRH4 (0.50) HRH3HRH4
SCHEMBL13723870 0.75 HRH4 (0.44) HRH4KDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL2421661 0.75 HRH4 (0.45) HRH3HRH4KDM4ESMN1; SMN2ALDH1A1
SCHEMBL4560009 0.74 HRH4 (0.54) HRH3HRH4
SCHEMBL7476342 0.73 ROCK2 (0.46) HRH3KDM4ESMN1; SMN2ALDH1A1GAA

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210215670-A1 COMPOUNDS AND METHODS OF IDENTIFYING, SYNTHESIZING, OPTIMIZING AND PROFILING PROTEIN MODULATORS HMI Medical Innovations, LLC 2021-07-15 — — US disclosed
US-20210215671-A1 COMPOUNDS AND METHODS OF IDENTIFYING, SYNTHESIZING, OPTIMIZING AND PROFILING PROTEIN MODULATORS HMI Medical Innovations, LLC 2021-07-15 — — US disclosed
US-10955408-B2 Compounds and methods of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2021-03-23 — — US disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 — — US disclosed
US-20200049693-A1 COMPOUNDS AND METHODS OF IDENTIFYING, SYNTHESIZING, OPTIMIZING AND PROFILING PROTEIN MODULATORS HMI Medical Innovations, LLC 2020-02-13 — — US disclosed
US-10473643-B2 Compounds and methods of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2019-11-12 — — US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 — — US disclosed
US-10018619-B2 Compounds and method of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC (US) 2018-07-10 — — 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
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-2699572-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 — — EP 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

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 HRH3 542/4885HRH4 1048/4885KDM4E 1662/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK HRH3 662/4885HRH4 1011/4885KDM4E 1409/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK HRH3 542/4885HRH4 1048/4885KDM4E 1662/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK HRH3 542/4885HRH4 1048/4885KDM4E 1662/4885
US-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 HRH3 1279/4885HRH4 2661/4885KDM4E 1843/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK HRH3 592/4885HRH4 1135/4885KDM4E 1645/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK HRH3 592/4885HRH4 1135/4885KDM4E 1645/4885

“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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