SCHEMBL2166586

SCHEMBL2166586

Nc1nc(N)c2c(N3CCN(C(=O)c4ccccc4F)CC3)cccc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
TSHR P16473 3/20 0.55
USP2 O75604 2/20 0.54
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HTT P42858 2/20 0.51
MAPK1 P28482 3/20 0.51
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HSD17B10 Q99714 1/20 0.46
ALOX15 P16050 1/20 0.45
GBA1 P04062 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL2165366 0.93 SMN1; SMN2 (0.51) SMN1; SMN2TSHRUSP2ALDH1A1KDM4E
SCHEMBL2166596 0.87 USP2 (0.60) SMN1; SMN2TSHRUSP2ALDH1A1KDM4E
SCHEMBL2166042 0.87 RAB9A (0.53) SMN1; SMN2ALDH1A1KDM4EMAPK1MAPT
SCHEMBL2166325 0.84 KDM4E (0.52) SMN1; SMN2TSHRALDH1A1KDM4EHTT
SCHEMBL2164157 0.83 L3MBTL1 (0.50) SMN1; SMN2TSHRALDH1A1KDM4EL3MBTL1
SCHEMBL2167500 0.80 P2RX7 (0.50) SMN1; SMN2ALDH1A1L3MBTL1MAPK1MEN1
SCHEMBL2168162 0.80 LMNA (0.54) SMN1; SMN2TSHRUSP2ALDH1A1HTT
SCHEMBL2166122 0.79 MEN1 (0.52) SMN1; SMN2TSHRALDH1A1KDM4EL3MBTL1
SCHEMBL2166066 0.79 ALDH1A1 (0.51) SMN1; SMN2TSHRUSP2ALDH1A1KDM4E
SCHEMBL2166025 0.78 DHFR (0.51) ALDH1A1KDM4EL3MBTL1HTTLMNA

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.