SCHEMBL2166006

SCHEMBL2166006

Nc1nc(N)c2c(N3CCN(Cc4ccc(Cl)cc4Cl)CC3)cccc2n1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
MAPT P10636 2/20 0.53
DCPS Q96C86 5/20 0.48
SIGMAR1 Q99720 1/20 0.48
ALDH1A1 P00352 2/20 0.47
PLA2G1B P04054 1/20 0.47
RAB9A P51151 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
DHFR P00374 3/20 0.47
HTR1A P08908 2/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
HTR2C P28335 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP2A13 Q16696 1/20 0.43

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
SCHEMBL2167390 0.88 ALDH1A1 (0.64) KDM4EMAPTDCPSSIGMAR1ALDH1A1
SCHEMBL2165907 0.85 DCPS (0.49) KDM4EMAPTDCPSSIGMAR1ALDH1A1
SCHEMBL2165351 0.85 DHFR (0.62) MAPTDCPSSIGMAR1DHFRHTR1A
SCHEMBL2166517 0.82 DCPS (0.62) DCPSSIGMAR1DHFRHTR1AHTR2C
SCHEMBL2165879 0.81 DCPS (0.51) KDM4EDCPSALDH1A1DHFRSMN1; SMN2
SCHEMBL2166082 0.81 DCPS (0.58) KDM4EMAPTDCPSALDH1A1RAB9A
SCHEMBL2166247 0.79 DCPS (0.61) KDM4EMAPTDCPSALDH1A1PLA2G1B
SCHEMBL2165238 0.79 KMT2A (0.51) KDM4EDCPSALDH1A1PLA2G1BRAB9A
SCHEMBL2165395 0.79 DRD2 (0.56) KDM4EDCPSALDH1A1PLA2G1BRAB9A
SCHEMBL2164643 0.77 DCPS (0.81) DCPSDHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2615086-A1 2,4-Diaminoquinazolines for the treatment of spinal muscular atrophy Families of Spinal Muscular Atrophy (US) 2013-07-17 EP claimed
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 KDM4E 548/4885MAPT 715/4885DCPS 1366/4885

“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.