SCHEMBL2165178

SCHEMBL2165178

Nc1nc(N)c2c(N3CCN(S(=O)(=O)c4cccc5ccccc45)CC3)cccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPY5R Q15761 1/20 0.49
HSD11B1 P28845 1/20 0.49
MAPT P10636 4/20 0.49
TP53 P04637 1/20 0.47
HTR6 P50406 2/20 0.47
DCPS Q96C86 1/20 0.46
LMNA P02545 5/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 2/20 0.44
POLB P06746 2/20 0.43
PKM P14618 2/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 2/20 0.43
USP2 O75604 2/20 0.43
CNR1 P21554 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL2167043 0.87 MAPT (0.50) GBA1MEN1KMT2AHSD11B1MAPT
SCHEMBL2166296 0.82 GBA1 (0.51) GBA1MEN1KMT2AHSD11B1LMNA
SCHEMBL2166205 0.79 ALDH1A1 (0.52) GBA1MEN1KMT2AHSD11B1MAPT
SCHEMBL2166369 0.79 NPSR1 (0.53) GBA1MEN1KMT2AHSD11B1MAPT
SCHEMBL2166715 0.77 GBA1 (0.49) GBA1MEN1KMT2AMAPTDCPS
SCHEMBL8891209 0.77 HTR3A (0.59) GBA1MEN1KMT2ANPY5RHSD11B1
SCHEMBL2165611 0.77 DCPS (0.65) NPY5RDCPS
Hydrochloric Acid SCHEMBL8901555 0.76 ALDH1A1 (0.57) GBA1MEN1KMT2ANPY5RHSD11B1
SCHEMBL2166596 0.76 USP2 (0.60) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL2165395 0.76 DRD2 (0.56) DCPSALDH1A1

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 GBA1 847/4885MEN1 2425/4885KMT2A 90/4885

“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.