SCHEMBL2164716

SCHEMBL2164716

Nc1nc(N)c2c(OCCN3CCN(Cc4ccccc4F)CC3)cccc2n1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 16/20 0.72
CYP2D6 P10635 1/20 0.72
DHFR P00374 5/20 0.64
CSNK1A1 P48729 1/20 0.47
CSNK1D P48730 1/20 0.47
PRKCD Q05655 1/20 0.47
PAK1 Q13153 1/20 0.47
CAMK2B Q13554 1/20 0.47
CAMK2G Q13555 1/20 0.47
CAMK2D Q13557 1/20 0.47
TAOK1 Q7L7X3 1/20 0.47

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
SCHEMBL2167452 0.90 DCPS (0.59) DCPSCYP2D6DHFR
SCHEMBL2164740 0.84 DCPS (1.00) DCPSCYP2D6DHFR
SCHEMBL15284096 0.82 DCPS (0.55) DCPSCYP2D6DHFR
SCHEMBL2166531 0.82 DCPS (0.52) DCPSCYP2D6DHFR
SCHEMBL2166025 0.82 DHFR (0.51) DCPSCYP2D6DHFR
SCHEMBL5217311 0.81 DHFR (0.77) DCPSCYP2D6DHFRCSNK1A1CSNK1D
SCHEMBL2166247 0.80 DCPS (0.61) DCPSCYP2D6DHFR
SCHEMBL1154761 0.79 DHFR (1.00) DCPSCYP2D6DHFRCSNK1A1CSNK1D
SCHEMBL2166381 0.79 DHFR (0.73) DCPSCYP2D6DHFR
SCHEMBL2165621 0.78 KCNA5 (0.57) DCPSCYP2D6DHFR

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

“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.