SCHEMBL1154890

SCHEMBL1154890

N#Cc1c(F)cccc1OCc1cc(F)cc(F)c1F

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.49
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MCL1 Q07820 1/20 0.37
MRGPRX4 Q96LA9 2/20 0.36
PTGER2 P43116 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
DHFR P00374 1/20 0.35
DCPS Q96C86 1/20 0.35
CXCR2 P25025 2/20 0.35
HSD11B1 P28845 1/20 0.34
PTGER1 P34995 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 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
SCHEMBL1155449 0.86 MAPK14 (0.48) MAPK14NPC1RAB9AMCL1MRGPRX4
SCHEMBL1154720 0.86 MAPK14 (0.60) MAPK14PTGER1
SCHEMBL22769777 0.82 MAPK14 (0.46) MAPK14NPC1RAB9AMRGPRX4MEN1
SCHEMBL1154530 0.81 MAPK14 (0.46) MAPK14NPC1RAB9AMRGPRX4ALDH1A1
SCHEMBL1154287 0.81 MCL1 (0.55) MAPK14NPC1RAB9AMCL1ALDH1A1
SCHEMBL1155271 0.78 NPC1 (0.55) MAPK14NPC1RAB9AMRGPRX4ALDH1A1
SCHEMBL1154507 0.77 MAPK14 (0.54) MAPK14NPC1RAB9AMRGPRX4LMNA
SCHEMBL1154503 0.76 HSD11B1 (0.50) NPC1RAB9AMCL1MRGPRX4HPGD
SCHEMBL1155095 0.76 MCL1 (0.43) MAPK14NPC1RAB9AMCL1ALDH1A1
SCHEMBL1154549 0.76 MCL1 (0.47) MAPK14NPC1RAB9AMCL1ALDH1A1

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 MAPK14 1389/4885NPC1 4388/4885RAB9A 1250/4885
US-20160152577-A1 2,4-Diaminoquinazolines for Spinal Muscular Atrophy SMN1; SMN2, MUSK, MYO3B MAPK14 1389/4885NPC1 4388/4885RAB9A 1250/4885
US-20050288314-A1 2,4-diaminoquinazolines for spinal muscular atrophy SMN1; SMN2, MUSK, MYO3B MAPK14 1389/4885NPC1 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.