SCHEMBL2166017

SCHEMBL2166017

N#Cc1c(F)cccc1OCC1CCC(c2ccc(Cl)cc2)CC1.OCC1CCC(c2ccc(Cl)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.39
ESR2 Q92731 6/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
GRM2 Q14416 2/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
IKBKB O14920 2/20 0.36
CHUK O15111 1/20 0.36
CYP2D6 P10635 1/20 0.36
DCPS Q96C86 1/20 0.35
SCN9A Q15858 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD5 P21918 1/20 0.34
HTR2A P28223 1/20 0.34
DRD3 P35462 1/20 0.34
SCN7A Q01118 1/20 0.34
SCN5A Q14524 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
SCHEMBL2164302 0.94 GRM2 (0.42) GRM2NPC1RAB9AIKBKBCHUK
SCHEMBL1154384 0.81 KDM4E (0.46) GRM2IKBKBCHUKDCPSHTR2A
SCHEMBL1154568 0.76 MCHR1 (0.45) IKBKBKCNN4KDM4E
SCHEMBL1154431 0.76 MCHR1 (0.45) IKBKBKCNN4KDM4E
SCHEMBL30175284 0.76 MCHR1 (0.45) IKBKBKCNN4KDM4E
SCHEMBL1154425 0.75 MCHR1 (0.46) IKBKBKCNN4KDM4E
SCHEMBL1155374 0.75 MGLL (0.50) SCN7ASCN5AMGLL
SCHEMBL2164263 0.75 KDM4E (0.39) GRM2NPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL1155292 0.74 SLC6A2 (0.45) IKBKBCHUKHTR1AKDM4E
SCHEMBL2164306 0.73 HSD11B1 (0.41) CYP3A4CYP2C9GRM2CYP2D6DCPS

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069316-B1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2015-10-07 EP disclosed
EP-2615086-A1 2,4-Diaminoquinazolines for the treatment of spinal muscular atrophy Families of Spinal Muscular Atrophy (US) 2013-07-17 EP disclosed
US-7985755-B2 2,4-diaminoquinazolines for spinal muscular atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2011-07-26 US disclosed
EP-2069316-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY Families of Spinal Muscular Atrophy (US) 2009-06-17 EP disclosed
US-20090042900-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY DECODE CHEMISTRY, INC. (US) 2009-02-12 US disclosed
WO-2008016973-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2008-02-07 WO 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 (1 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-20090042900-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY SMN1; SMN2, MUSK, MYT1 ESR1 4830/4885ESR2 4264/4885CYP3A4 4555/4885

“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.