SCHEMBL1155040

SCHEMBL1155040

N#Cc1c(N)cccc1COc1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 1/20 0.49
MRGPRX4 Q96LA9 2/20 0.48
TP53 P04637 2/20 0.47
HTT P42858 1/20 0.47
PLAU P00749 1/20 0.42
TLR8 Q9NR97 1/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
FABP4 P15090 1/20 0.40
FABP5 Q01469 1/20 0.40
HSD11B1 P28845 2/20 0.40
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL1155237 0.83 PLAU (0.42) DCPSMRGPRX4PLAUNPC1RAB9A
SCHEMBL28339206 0.81 TP53 (0.57) DCPSTP53HTTNPC1RAB9A
SCHEMBL1154526 0.78 TLR8 (0.47) MRGPRX4TLR8NPC1RAB9A
SCHEMBL1154781 0.78 MRGPRX4 (0.52) MRGPRX4NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL1154908 0.78 HPGD (0.49) DCPSMRGPRX4TP53HTTNPC1
SCHEMBL23704662 0.77 MCL1 (0.50) DCPSTP53HTTPLAUL3MBTL1
SCHEMBL621074 0.77 NPC1 (0.50) PLAUNPC1RAB9AHPGDKDM4E
SCHEMBL1155284 0.77 DHFR (0.52) DCPSMRGPRX4PLAUHSD11B1HPGD
SCHEMBL1155388 0.76 DHFR (0.50) DCPSMRGPRX4TLR8NPC1RAB9A
SCHEMBL1154363 0.75 MAOB (0.44) DCPSTLR8NPC1RAB9AALDH1A1

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 DCPS 1285/4885MRGPRX4 1940/4885TP53 4864/4885
US-20160152577-A1 2,4-Diaminoquinazolines for Spinal Muscular Atrophy SMN1; SMN2, MUSK, MYO3B DCPS 1285/4885MRGPRX4 1940/4885TP53 4864/4885
US-20050288314-A1 2,4-diaminoquinazolines for spinal muscular atrophy SMN1; SMN2, MUSK, MYO3B DCPS 1285/4885MRGPRX4 1940/4885TP53 4864/4885

“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.