SCHEMBL12404111

SCHEMBL12404111

Nc1nc(N)c2c(OCC3CCC(Cc4ccccc4)CC3)cccc2n1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 16/20 0.73
DHFR P00374 5/20 0.69
CYP2D6 P10635 1/20 0.59

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
SCHEMBL1154903 0.90 DCPS (0.83) DCPSDHFRCYP2D6
SCHEMBL2166220 0.88 DHFR (0.75) DCPSDHFRCYP2D6
SCHEMBL1155035 0.85 DCPS (0.79) DCPSDHFRCYP2D6
SCHEMBL1154891 0.85 DCPS (0.79) DCPSDHFRCYP2D6
SCHEMBL2164866 0.84 DCPS (0.75) DCPSDHFRCYP2D6
SCHEMBL2165182 0.84 DCPS (0.64) DCPSDHFRCYP2D6
SCHEMBL2166490 0.84 DCPS (0.75) DCPSDHFRCYP2D6
SCHEMBL2166555 0.84 DCPS (1.00) DCPSDHFRCYP2D6
SCHEMBL1154212 0.84 DCPS (0.77) DCPSDHFRCYP2D6
SCHEMBL1155228 0.82 DCPS (0.74) DCPSDHFRCYP2D6

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 2 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 disclosed
US-20090042900-A1 2,4-DIAMINOQUINAZOLINES FOR SPINAL MUSCULAR ATROPHY DECODE CHEMISTRY, INC. (US) 2009-02-12 US 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 DCPS 1366/4885DHFR 1446/4885CYP2D6 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.