SCHEMBL1154330

SCHEMBL1154330

N#Cc1c(F)cccc1OCc1ccoc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MRGPRX4 Q96LA9 3/20 0.38
TXNRD1 Q16881 1/20 0.37
TXNRD3 Q86VQ6 1/20 0.37
TXNRD2 Q9NNW7 1/20 0.37
MAPK14 Q16539 1/20 0.37
GAA P10253 1/20 0.35
HPGD P15428 5/20 0.34
ALDH1A1 P00352 4/20 0.34
TSHR P16473 4/20 0.34
MAPT P10636 3/20 0.34
MAPK1 P28482 2/20 0.34
VEGFA P15692 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 2/20 0.34
KDM1A O60341 2/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 2/20 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
SCHEMBL619064 0.83 NPC1 (0.43) NPC1RAB9AMRGPRX4TXNRD1TXNRD3
SCHEMBL646003 0.81 NPC1 (0.51) NPC1RAB9AMRGPRX4MAPK14ALDH1A1
SCHEMBL1155271 0.81 NPC1 (0.55) NPC1RAB9AMRGPRX4MAPK14HPGD
SCHEMBL1154530 0.78 MAPK14 (0.46) NPC1RAB9AMRGPRX4MAPK14HPGD
SCHEMBL618048 0.78 SGMS2 (0.41) NPC1RAB9AMRGPRX4TXNRD1TXNRD3
SCHEMBL1154479 0.77 NPC1 (0.55) NPC1RAB9AMRGPRX4ALDH1A1TSHR
SCHEMBL1154507 0.77 MAPK14 (0.54) NPC1RAB9AMRGPRX4MAPK14LMNA
SCHEMBL1154971 0.77 NPC1 (0.51) NPC1RAB9AMRGPRX4MAPK14KDM1A
SCHEMBL1155280 0.77 NPC1 (0.51) NPC1RAB9AMRGPRX4MAPK14SMN1; SMN2
SCHEMBL1154486 0.77 NPC1 (0.51) NPC1RAB9AMRGPRX4MAPK14LMNA

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 NPC1 4388/4885RAB9A 1250/4885MRGPRX4 1940/4885
US-20160152577-A1 2,4-Diaminoquinazolines for Spinal Muscular Atrophy SMN1; SMN2, MUSK, MYO3B NPC1 4388/4885RAB9A 1250/4885MRGPRX4 1940/4885
US-20050288314-A1 2,4-diaminoquinazolines for spinal muscular atrophy SMN1; SMN2, MUSK, MYO3B NPC1 4388/4885RAB9A 1250/4885MRGPRX4 1940/4885

“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.