SCHEMBL2165366

SCHEMBL2165366

Nc1nc(N)c2c(N3CCN(C(=O)c4cccc(F)c4F)CC3)cccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
TSHR P16473 2/20 0.51
USP2 O75604 2/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 2/20 0.47
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTT P42858 2/20 0.42
ALOX15 P16050 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
P2RX7 Q99572 1/20 0.41

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
SCHEMBL2166586 0.93 SMN1; SMN2 (0.55) SMN1; SMN2TSHRUSP2MAPK1CYP1A2
SCHEMBL2166596 0.84 USP2 (0.60) SMN1; SMN2TSHRUSP2MAPK1ALDH1A1
SCHEMBL2166042 0.84 RAB9A (0.53) SMN1; SMN2HPGDMAPK1ALDH1A1NPSR1
SCHEMBL2164157 0.83 L3MBTL1 (0.50) SMN1; SMN2TSHRMAPK1ALDH1A1NPSR1
SCHEMBL2166325 0.81 KDM4E (0.52) SMN1; SMN2TSHRHPGDMAPK1ALDH1A1
SCHEMBL2167500 0.79 P2RX7 (0.50) SMN1; SMN2MAPK1ALDH1A1NPSR1L3MBTL1
SCHEMBL2166122 0.78 MEN1 (0.52) SMN1; SMN2TSHRCYP2C9CYP2C19ALDH1A1
SCHEMBL2166066 0.78 ALDH1A1 (0.51) SMN1; SMN2TSHRUSP2HPGDMAPK1
SCHEMBL2165360 0.77 DCPS (0.68)
SCHEMBL2168162 0.77 LMNA (0.54) SMN1; SMN2TSHRUSP2HPGDMAPK1

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 SMN1; SMN2 1/4885TSHR 4604/4885USP2 2253/4885

“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.