SCHEMBL2166025

SCHEMBL2166025

Nc1nc(N)c2c(OCCN3CCN(C(=O)c4ccccc4F)CC3)cccc2n1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.51
DCPS Q96C86 10/20 0.50
CYP2D6 P10635 1/20 0.50
LDHA P00338 1/20 0.49
DRD3 P35462 2/20 0.46
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
DRD2 P14416 1/20 0.43
KCNA5 P22460 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL2165229 0.91 DCPS (0.49) DHFRDCPSCYP2D6DRD3KDM4E
SCHEMBL2165621 0.88 KCNA5 (0.57) DHFRDCPSCYP2D6LDHADRD3
SCHEMBL2165732 0.83 DCPS (0.69) DHFRDCPSCYP2D6
SCHEMBL2166072 0.83 MEN1 (0.57) DHFRDCPSLDHADRD3DRD2
SCHEMBL2164716 0.82 DCPS (0.72) DHFRDCPSCYP2D6
SCHEMBL2165290 0.81 DCPS (0.54) DHFRDCPSDRD3DRD2KCNA5
SCHEMBL2166531 0.80 DCPS (0.52) DHFRDCPSCYP2D6KDM4EALDH1A1
SCHEMBL2164770 0.79 KCNH2 (0.48) DHFRDCPS
SCHEMBL2165589 0.79 DRD2 (0.52) DCPSCYP2D6DRD3KDM4EALDH1A1
SCHEMBL15284096 0.78 DCPS (0.55) DHFRDCPSCYP2D6

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
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
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 DHFR 1446/4885DCPS 1366/4885CYP2D6 3869/4885

“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.