SCHEMBL1154713

SCHEMBL1154713

CC(Oc1cccc(F)c1C#N)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.40
SLC6A2 P23975 4/20 0.40
SLC6A3 Q01959 3/20 0.40
SCN1A P35498 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
MET P08581 2/20 0.38
S1PR2 O95136 1/20 0.35
S1PR4 O95977 1/20 0.35
S1PR3 Q99500 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
DHFR P00374 2/20 0.33
CYP2D6 P10635 2/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
NOS2 P35228 1/20 0.33
CASR P41180 1/20 0.33

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
SCHEMBL1155101 0.86 DHFR (0.46) SLC6A4METTAS1R3TAS1R1TAS1R2
SCHEMBL1154993 0.85 SLC6A4 (0.40) SLC6A4METTAS1R3TAS1R1TAS1R2
SCHEMBL1154674 0.84 DRD2 (0.37) SLC6A4DRD2HTR2AHRH1CASR
SCHEMBL1154833 0.83 HTR6 (0.46) SLC6A4SCN1ASCN5ASCN8ADRD2
SCHEMBL1155091 0.82 LMNA (0.39) SLC6A4SLC6A2SLC6A3CYP2D6CASR
SCHEMBL1155239 0.81 HTR6 (0.37) SLC6A4METDRD2HTR2AHRH1
SCHEMBL1155061 0.81 HTR6 (0.40) SLC6A4SLC6A2CYP2D6DRD2HTR2A
SCHEMBL1154472 0.81 HTR6 (0.40) SLC6A4SLC6A2CYP2D6DRD2HTR2A
SCHEMBL1155086 0.81 HTR6 (0.40) SLC6A4SLC6A2CYP2D6DRD2HTR2A
SCHEMBL1154564 0.81 HTR6 (0.35) SLC6A4TAS1R3TAS1R1TAS1R2DHFR

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 SLC6A4 1887/4885SLC6A2 931/4885SLC6A3 1143/4885
US-20160152577-A1 2,4-Diaminoquinazolines for Spinal Muscular Atrophy SMN1; SMN2, MUSK, MYO3B SLC6A4 1887/4885SLC6A2 931/4885SLC6A3 1143/4885
US-20050288314-A1 2,4-diaminoquinazolines for spinal muscular atrophy SMN1; SMN2, MUSK, MYO3B SLC6A4 1887/4885SLC6A2 931/4885SLC6A3 1143/4885

“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.