SCHEMBL2164432

SCHEMBL2164432

Nc1nc(N)c2c(OCC3CCN(Cc4ccc(F)c(F)c4)CC3)cccc2n1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.78
DCPS Q96C86 17/20 0.77
CYP2D6 P10635 1/20 0.73

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
SCHEMBL2167475 0.91 DCPS (0.77) DHFRDCPSCYP2D6
SCHEMBL2165637 0.91 DCPS (0.72) DHFRDCPSCYP2D6
SCHEMBL2167490 0.90 DCPS (0.85) DHFRDCPSCYP2D6
SCHEMBL2169088 0.89 DCPS (0.78) DHFRDCPSCYP2D6
SCHEMBL2164670 0.88 DCPS (0.85) DHFRDCPSCYP2D6
SCHEMBL2165987 0.88 DCPS (0.81) DHFRDCPSCYP2D6
SCHEMBL2165553 0.88 DCPS (0.80) DHFRDCPSCYP2D6
SCHEMBL2165714 0.88 DHFR (1.00) DHFRDCPSCYP2D6
Hydrochloric Acid SCHEMBL2166156 0.87 DCPS (0.83) DHFRDCPSCYP2D6
SCHEMBL1154603 0.87 DCPS (1.00) 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 5 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
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 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.