SCHEMBL2166024

SCHEMBL2166024

N#Cc1c(F)ccc(C(O)C2CCC(Cc3cccc(Cl)c3)CC2)c1OCC1CCC(Cc2cccc(Cl)c2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
PDE2A O00408 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
GRM2 Q14416 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2B P18089 1/20 0.32
DRD1 P21728 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HRH1 P35367 1/20 0.32
ADRA1B P35368 1/20 0.32

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
SCHEMBL2164263 0.79 KDM4E (0.39) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL1119533 0.67 ALDH1A1 (0.61) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL12404096 0.66 TSHR (0.41) KDM4EALDH1A1GAAATML3MBTL1
SCHEMBL13503729 0.66 ALDH1A1 (0.50) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL2166488 0.64 ALDH1A1 (0.54) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL1347684 0.62 PDE2A (0.61) PDE2AHTR2AHTR2CHTR2BKCNH2
SCHEMBL1154362 0.62 NPC1 (0.52) MAOB
SCHEMBL1154384 0.62 KDM4E (0.46) KDM4EALDH1A1GRM2HTR2AHTR2C
SCHEMBL28688956 0.61 ALDH1A1 (0.58) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL13504025 0.61 ALDH1A1 (0.54) KDM4EALDH1A1GLAGAAMAPT

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 KDM4E 548/4885ALDH1A1 1308/4885GLA 1703/4885

“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.