SCHEMBL1155296

SCHEMBL1155296

CC(Oc1cccc(F)c1C#N)c1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.39
JAK2 O60674 3/20 0.39
SCN1A P35498 5/20 0.39
SCN5A Q14524 5/20 0.39
SCN8A Q9UQD0 5/20 0.39
SLC6A4 P31645 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CASR P41180 1/20 0.36
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
MET P08581 1/20 0.34
LPAR1 Q92633 1/20 0.34

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
SCHEMBL1155267 0.89 ALDH1A1 (0.41) SCN1ASCN5ASCN8ASLC6A4ALDH1A1
SCHEMBL5222341 0.86 HTR2A (0.41) IKBKESLC6A4ALDH1A1ADRA2AADRA2B
SCHEMBL1155272 0.83 ALDH1A1 (0.37) SLC6A4ALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL1154973 0.83 ALDH1A1 (0.37) SLC6A4ALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL1155211 0.83 ALDH1A1 (0.37) SLC6A4ALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL1154756 0.82 IKBKE (0.43) IKBKESLC6A4ALDH1A1ADRA2AADRA2B
SCHEMBL1155061 0.80 HTR6 (0.40) SLC6A4ALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL1154472 0.80 HTR6 (0.40) SLC6A4ALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL1155086 0.80 HTR6 (0.40) SLC6A4ALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL1155196 0.80 DRD2 (0.39) SCN1ASCN5ASCN8AALDH1A1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3121176-A1 2,4-DIAMINOQUINAZOLINES FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY Families of Spinal Muscular Atrophy (US) 2017-01-25 EP disclosed
EP-1765810-B1 2,4-DIAMINOQUINAZOLINES FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2016-08-17 EP disclosed
EP-2514748-B1 2,4-diaminoquinazolines for spinal muscular atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2016-08-10 EP disclosed
US-20160152577-A1 2,4-Diaminoquinazolines for Spinal Muscular Atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2016-06-02 US disclosed
US-9067897-B2 2,4-Diaminoquinazolines for spinal muscular atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2015-06-30 US disclosed
EP-2514748-A1 2,4-diaminoquinazolines for spinal muscular atrophy Families of Spinal Muscular Atrophy (US) 2012-10-24 EP disclosed
US-20110112118-A1 2,4-Diaminoquinazolines for Spinal Muscular Atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2011-05-12 US disclosed
US-7888366-B2 2,4-diaminoquinazolines for spinal muscular atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2011-02-15 US disclosed
EP-1765810-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY Decode Chemistry, Inc. (US) 2007-03-28 EP disclosed
WO-2005123724-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY DECODE CHEMISTRY, INC. (US) 2005-12-29 WO disclosed
US-20050288314-A1 2,4-diaminoquinazolines for spinal muscular atrophy DECODE CHEMISTRY, INC. (US) 2005-12-29 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 (3 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-20110112118-A1 2,4-Diaminoquinazolines for Spinal Muscular Atrophy SMN1; SMN2, MUSK, MYO3B IKBKE 1392/4885JAK2 3684/4885SCN1A 1256/4885
US-20160152577-A1 2,4-Diaminoquinazolines for Spinal Muscular Atrophy SMN1; SMN2, MUSK, MYO3B IKBKE 1392/4885JAK2 3684/4885SCN1A 1256/4885
US-20050288314-A1 2,4-diaminoquinazolines for spinal muscular atrophy SMN1; SMN2, MUSK, MYO3B IKBKE 1392/4885JAK2 3684/4885SCN1A 1256/4885

“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.