SCHEMBL1154876

SCHEMBL1154876

COc1cc(Cl)ccc1Oc1cccc(F)c1C#N

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.50
SLC6A2 P23975 7/20 0.50
SLC6A3 Q01959 4/20 0.50
KCNH2 Q12809 2/20 0.50
SLC22A12 Q96S37 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
AR P10275 3/20 0.44
TTR P02766 2/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL1155216 0.80 NPC1 (0.56) NPC1RAB9ALMNAKMT2AMAPK1
SCHEMBL18625 0.79 NPC1 (0.47) NPC1RAB9AARLMNAKMT2A
SCHEMBL9367643 0.77 SLC6A2 (0.49) SLC6A4SLC6A2SLC6A3SLC22A12AR
SCHEMBL17085521 0.77 KDM4E (0.41) SLC6A4SLC6A2SLC6A3NPC1RAB9A
SCHEMBL22904596 0.75 SLC6A2 (0.47) SLC6A4SLC6A2SLC6A3SLC22A12AR
SCHEMBL22169493 0.74 RAB9A (0.47) RAB9AARGAAKMT2AL3MBTL1
SCHEMBL14861296 0.74 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3KCNH2SLC22A12
SCHEMBL22904395 0.74 RHEB (0.44) SLC6A4SLC6A2SLC6A3SLC22A12LMNA
SCHEMBL2881518 0.74 AR (0.42) SLC6A4SLC6A2SLC6A3KCNH2SLC22A12
SCHEMBL22169453 0.74 POLB (0.57) SLC6A4SLC6A2SLC6A3NPC1RAB9A

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.