SCHEMBL1154908

SCHEMBL1154908

N#Cc1c(COc2ccccc2Cl)cccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MRGPRX4 Q96LA9 2/20 0.46
KMT2A Q03164 1/20 0.46
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 3/20 0.43
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
RECQL P46063 1/20 0.42
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.40
PIN1 Q13526 1/20 0.40
SGMS2 Q8NHU3 1/20 0.39
DCPS Q96C86 1/20 0.39

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
SCHEMBL1155283 0.85 ALDH1A1 (0.43) HPGDNPC1RAB9AMRGPRX4KMT2A
SCHEMBL1155121 0.81 MAOB (0.47) HPGDNPC1RAB9AMRGPRX4KMT2A
SCHEMBL1154524 0.80 MRGPRX4 (0.50) HPGDNPC1RAB9AMRGPRX4KMT2A
SCHEMBL619793 0.80 HTR1A (0.53) HPGDNPC1RAB9AKMT2AALDH1A1
SCHEMBL1155185 0.80 HSPB1 (0.53) HPGDNPC1RAB9AMRGPRX4KMT2A
SCHEMBL1154867 0.79 MRGPRX4 (0.43) HPGDNPC1RAB9AMRGPRX4KMT2A
SCHEMBL1155130 0.79 MAOB (0.47) HPGDNPC1RAB9AKMT2AALDH1A1
SCHEMBL1155502 0.78 MAPT (0.46) NPC1RAB9AMRGPRX4KMT2ATP53
SCHEMBL1155040 0.78 DCPS (0.49) HPGDNPC1RAB9AMRGPRX4KMT2A
SCHEMBL2411327 0.76 SGMS2 (0.56) NPC1RAB9AMRGPRX4KMT2AHTR1A

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 HPGD 2395/4885NPC1 4388/4885RAB9A 1250/4885
US-20160152577-A1 2,4-Diaminoquinazolines for Spinal Muscular Atrophy SMN1; SMN2, MUSK, MYO3B HPGD 2395/4885NPC1 4388/4885RAB9A 1250/4885
US-20050288314-A1 2,4-diaminoquinazolines for spinal muscular atrophy SMN1; SMN2, MUSK, MYO3B HPGD 2395/4885NPC1 4388/4885RAB9A 1250/4885

“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.