SCHEMBL2165359

SCHEMBL2165359

Nc1nc(N)c2c(N3CCN(Cc4cccc(OC(F)(F)F)c4)CC3)cccc2n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.50
DCPS Q96C86 6/20 0.46
DRD2 P14416 3/20 0.46
DRD4 P21917 3/20 0.46
DRD1 P21728 2/20 0.44
SLC2A1 P11166 1/20 0.42
DRD3 P35462 1/20 0.41
CHRM3 P20309 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
OPRM1 P35372 1/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2166418 0.90 ALDH1A1 (0.48) DHFRDCPSDRD2DRD4ALDH1A1
SCHEMBL2166082 0.82 DCPS (0.58) DHFRDCPSDRD2DRD4SLC2A1
SCHEMBL2165351 0.81 DHFR (0.62) DHFRDCPSDRD2DRD4DRD3
SCHEMBL2165096 0.81 DCPS (0.68) DHFRDCPSDRD2DRD4DRD3
Hydrochloric Acid SCHEMBL2164408 0.81 PTPN1 (0.53) DHFRDCPS
SCHEMBL2165316 0.80 DCPS (0.73) DHFRDCPS
SCHEMBL2166517 0.79 DCPS (0.62) DHFRDCPSDRD2DRD4DRD3
SCHEMBL2165907 0.78 DCPS (0.49) DHFRDCPSDRD2DRD4DRD3
SCHEMBL2164605 0.77 KDM4E (0.56) DRD2SLC2A1DRD3KDM4EALDH1A1
SCHEMBL2166247 0.74 DCPS (0.61) DHFRDCPSDRD4KDM4EALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1366/4885DRD2 3588/4885

“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.