SCHEMBL2164302

SCHEMBL2164302

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD5 P21918 1/20 0.37
HTR2A P28223 1/20 0.37
DRD3 P35462 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HSD11B1 P28845 1/20 0.35
DCPS Q96C86 1/20 0.35
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
SCN9A Q15858 1/20 0.35
DGAT1 O75907 1/20 0.35
SCN7A Q01118 1/20 0.35
SCN5A Q14524 1/20 0.35
IDO1 P14902 1/20 0.34
KCNN4 O15554 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
SCHEMBL2166017 0.94 ESR1 (0.39) GRM2NPC1RAB9AHTR1ADRD2
SCHEMBL1154384 0.86 KDM4E (0.46) GRM2HTR2AKDM4EDCPSIKBKB
SCHEMBL1154568 0.81 MCHR1 (0.45) KDM4EIKBKBKCNN4
SCHEMBL30175284 0.81 MCHR1 (0.45) KDM4EIKBKBKCNN4
SCHEMBL1154431 0.81 MCHR1 (0.45) KDM4EIKBKBKCNN4
SCHEMBL1154425 0.79 MCHR1 (0.46) KDM4EIKBKBKCNN4
SCHEMBL2164263 0.79 KDM4E (0.39) GRM2NPC1RAB9AKDM4E
SCHEMBL2164306 0.78 HSD11B1 (0.41) GRM2HTR1AKDM4EHSD11B1DCPS
SCHEMBL1155374 0.77 MGLL (0.50) HSD11B1SCN7ASCN5A
SCHEMBL12404096 0.77 TSHR (0.41) HTR1AKDM4EKCNN4

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 GRM2 838/4885NPC1 4007/4885RAB9A 1336/4885

“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.