SCHEMBL4134623

SCHEMBL4134623

Cc1ccccc1-c1nc(N2C[C@@H](C)N[C@@H](C)C2)ncc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.44
PDE10A Q9Y233 1/20 0.43
BCL6 P41182 4/20 0.42
TACR1 P25103 2/20 0.42
RBP4 P02753 2/20 0.42
HCRTR2 O43614 4/20 0.38
HCRTR1 O43613 3/20 0.38
CAMK1D Q8IU85 1/20 0.38
MYC P01106 1/20 0.37
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
HDAC1 Q13547 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
SCHEMBL4134620 1.00 PTPN11 (0.44) PTPN11PDE10ABCL6TACR1RBP4
SCHEMBL4126108 0.88 PTPN11 (0.43) PTPN11BCL6RBP4HCRTR2HCRTR1
SCHEMBL4126105 0.88 PTPN11 (0.43) PTPN11BCL6RBP4HCRTR2HCRTR1
SCHEMBL4129088 0.88 PTPN11 (0.53) PTPN11PDE10ABCL6RBP4HCRTR2
SCHEMBL4112114 0.88 PTPN11 (0.43) PTPN11BCL6RBP4HCRTR2HCRTR1
SCHEMBL4129092 0.88 PTPN11 (0.53) PTPN11PDE10ABCL6RBP4HCRTR2
SCHEMBL4112107 0.88 PTPN11 (0.43) PTPN11BCL6RBP4HCRTR2HCRTR1
SCHEMBL4129223 0.87 PTPN11 (0.45) PTPN11BCL6RBP4HCRTR2HCRTR1
SCHEMBL4129219 0.87 PTPN11 (0.45) PTPN11BCL6RBP4HCRTR2HCRTR1
SCHEMBL6016377 0.86 PTPN11 (0.47) PTPN11PDE10ABCL6RBP4HCRTR2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160030474-A1 Brain, Spinal and Nerve Injury Treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2016-02-04 US claimed
US-20090253698-A1 Brain, Spinal and Nerve Injury Treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2009-10-08 US claimed
EP-1187815-B1 4-PHENYL-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-02-08 EP claimed
US-20050107380-A1 Brain, spinal and nerve injury treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2005-05-19 US claimed
US-6274588-B1 NEUROKININ OR SUBSTANCE P ANTAGONISTS; CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDES; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS HOFFMANN-LA ROCHE INC. 2001-08-14 US claimed
US-10201568-B2 Brain, spinal, and nerve injury treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2019-02-12 US disclosed
US-20180071333-A1 BRAIN, SPINAL, AND NERVE INJURY TREATMENT EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2018-03-15 US disclosed
US-20160030474-A1 Brain, Spinal and Nerve Injury Treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2016-02-04 US disclosed
US-9186404-B2 Brain, spinal and nerve injury treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2015-11-17 US disclosed
US-20090253698-A1 Brain, Spinal and Nerve Injury Treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2009-10-08 US disclosed
EP-1187815-B1 4-PHENYL-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-02-08 EP disclosed
US-20050107380-A1 Brain, spinal and nerve injury treatment EUSTRALIS PHARMACEUTICALS LIMITED (AU) 2005-05-19 US disclosed
US-6274588-B1 NEUROKININ OR SUBSTANCE P ANTAGONISTS; CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDES; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS HOFFMANN-LA ROCHE INC. 2001-08-14 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 (5 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-20180071333-A1 BRAIN, SPINAL, AND NERVE INJURY TREATMENT TACR1, TACR2, NPSR1 PTPN11 2144/4885PDE10A 2657/4885BCL6 4641/4885
US-20050107380-A1 Brain, spinal and nerve injury treatment TACR1, TACR2, NMUR1 PTPN11 2294/4885PDE10A 2888/4885BCL6 4661/4885
US-20160030474-A1 Brain, Spinal and Nerve Injury Treatment TACR1, TACR2, NMUR1 PTPN11 2294/4885PDE10A 2888/4885BCL6 4661/4885
US-10201568-B2 Brain, spinal, and nerve injury treatment TACR1, TACR2, NPSR1 PTPN11 2144/4885PDE10A 2657/4885BCL6 4641/4885
US-20090253698-A1 Brain, Spinal and Nerve Injury Treatment TACR1, TACR2, NMUR1 PTPN11 2294/4885PDE10A 2888/4885BCL6 4661/4885

“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.