SCHEMBL2166296

SCHEMBL2166296

Nc1nc(N)c2c(N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)cccc2n1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.51
PKM P14618 6/20 0.49
PKLR P30613 1/20 0.49
MCOLN3 Q8TDD5 2/20 0.49
TSHR P16473 2/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
HSD11B1 P28845 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL2166715 0.85 GBA1 (0.49) GBA1PKMMCOLN3TSHRALDH1A1
SCHEMBL2166205 0.85 ALDH1A1 (0.52) GBA1PKMTSHRKDM4EALDH1A1
SCHEMBL2166369 0.85 NPSR1 (0.53) GBA1PKMTSHRKDM4EALDH1A1
SCHEMBL2165178 0.82 GBA1 (0.51) GBA1PKMTSHRALDH1A1HSD11B1
SCHEMBL2167043 0.80 MAPT (0.50) GBA1PKMMCOLN3TSHRALDH1A1
SCHEMBL2166806 0.77 DCPS (0.64) MCOLN3LMNA
SCHEMBL2168162 0.77 LMNA (0.54) TSHRALDH1A1HPGDMEN1KMT2A
Hydrochloric Acid SCHEMBL2164408 0.75 PTPN1 (0.53) PKMKMT2A
SCHEMBL3209949 0.75 MCOLN3 (0.58) PKMPKLRMCOLN3TSHRHSD11B1
SCHEMBL18134604 0.74 MCOLN3 (0.83) PKMPKLRMCOLN3TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069316-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY Families of Spinal Muscular Atrophy (US) 2009-06-17 EP claimed
US-20090042900-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY DECODE CHEMISTRY, INC. (US) 2009-02-12 US claimed
WO-2008016973-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2008-02-07 WO claimed
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 GBA1 847/4885PKM 921/4885PKLR 2975/4885

“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.