SCHEMBL2165907

SCHEMBL2165907

Nc1nc(N)c2c(N3CCN(Cc4ccc(Cl)cc4)CC3)cccc2n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 7/20 0.49
DHFR P00374 4/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SIGMAR1 Q99720 1/20 0.44
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
DRD4 P21917 3/20 0.43
DRD2 P14416 2/20 0.43
DRD3 P35462 1/20 0.43
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL2166082 0.90 DCPS (0.58) DCPSDHFRMEN1KMT2AKDM4E
SCHEMBL2165351 0.90 DHFR (0.62) DCPSDHFRSIGMAR1MAPTDRD4
SCHEMBL2166517 0.89 DCPS (0.62) DCPSDHFRSIGMAR1DRD4DRD2
SCHEMBL2166006 0.85 KDM4E (0.53) DCPSDHFRSIGMAR1KDM4EMAPT
Hydrochloric Acid SCHEMBL2164408 0.84 PTPN1 (0.53) DCPSDHFRKMT2A
SCHEMBL2166418 0.84 ALDH1A1 (0.48) DCPSDHFRDRD4DRD2ALDH1A1
SCHEMBL2167390 0.84 ALDH1A1 (0.64) DCPSDHFRSIGMAR1KDM4EGAA
SCHEMBL2164605 0.82 KDM4E (0.56) MEN1KMT2AKDM4EMAPK1NPSR1
SCHEMBL12404416 0.81 DCPS (0.48) DCPSDHFRKDM4EGAAMAPT
SCHEMBL2165238 0.79 KMT2A (0.51) DCPSDHFRMEN1KMT2AKDM4E

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
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 1366/4885DHFR 1446/4885MEN1 2425/4885

“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.