SCHEMBL2166072

SCHEMBL2166072

Nc1nc(N)c2c(OCCN3CCN(C(=O)c4ccc(Cl)cc4)CC3)cccc2n1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
KCNA5 P22460 4/20 0.54
DRD3 P35462 3/20 0.53
DRD2 P14416 3/20 0.53
DCPS Q96C86 6/20 0.51
LDHA P00338 1/20 0.47
ABL1 P00519 1/20 0.47
BCR P11274 1/20 0.47
DHFR P00374 2/20 0.47
THRB P10828 1/20 0.45

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
SCHEMBL2165621 0.91 KCNA5 (0.57) MEN1KMT2AKCNA5DRD3DRD2
SCHEMBL2165290 0.90 DCPS (0.54) MEN1KMT2AKCNA5DRD3DRD2
SCHEMBL2165589 0.84 DRD2 (0.52) MEN1KMT2ADRD3DRD2DCPS
SCHEMBL2166025 0.83 DHFR (0.51) KCNA5DRD3DRD2DCPSLDHA
SCHEMBL1154905 0.83 DCPS (0.74) DCPSDHFR
SCHEMBL2165229 0.81 DCPS (0.49) DRD3DRD2DCPSDHFR
SCHEMBL2164770 0.81 KCNH2 (0.48) DCPSDHFR
SCHEMBL15284096 0.80 DCPS (0.55) DCPSDHFR
SCHEMBL2166066 0.79 ALDH1A1 (0.51) MEN1KMT2ADCPSABL1BCR
SCHEMBL2166381 0.78 DHFR (0.73) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985755-B2 2,4-diaminoquinazolines for spinal muscular atrophy FAMILIES OF SPINAL MUSCULAR ATROPHY (US) 2011-07-26 US 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 MEN1 2425/4885KMT2A 90/4885KCNA5 4081/4885

“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.