SCHEMBL796397

SCHEMBL796397

c1ccc(Sc2ncnc3[nH]cnc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
HPGD P15428 3/20 0.44
PNP P00491 1/20 0.43
CDC7 O00311 4/20 0.41
DBF4 Q9UBU7 4/20 0.41
HTT P42858 2/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
SLC29A1 Q99808 1/20 0.35
KDM4E B2RXH2 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NOTUM Q6P988 1/20 0.34
TSHR P16473 1/20 0.34
GAA P10253 2/20 0.33

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
SCHEMBL6660725 0.84 CDC7 (0.42) LMNAALDH1A1MAPTHPGDCDC7
SCHEMBL6424878 0.78 MAPT (0.46) LMNAALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL31186612 0.76 CDC7 (0.61) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL3760208 0.76 GAA (0.36) LMNAALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL2120063 0.76 CDC7 (0.61) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL2888984 0.76 G6PD (0.48) LMNAALDH1A1SMN1; SMN2RAB9AHPGD
SCHEMBL7834056 0.74 CDC7 (0.35) LMNAALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL191691 0.73 CDC7 (0.61) LMNAALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL796398 0.73 CDC7 (0.72) LMNAALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL1884552 0.73 G6PD (0.37) LMNAHTTNOTUMHSD17B10

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
US-20130231307-A1 NOVEL ANTIVIRAL ACYCLIC NUCLEOSIDE PHOSPHONATES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-09-05 US disclosed
EP-2616474-A1 NOVEL ANTIVIRAL ACYCLIC NUCLEOSIDE PHOSPHONATES Centre National De La Recherche Scientifique (FR) 2013-07-24 EP disclosed
WO-2012034719-A1 NOVEL ANTIVIRAL ACYCLIC NUCLEOSIDE PHOSPHONATES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-03-22 WO disclosed
EP-1444982-A1 The use of purine derivatives as selective kinase inhibitors MERCKLE GMBH (DE) 2004-08-11 EP 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-20130231307-A1 NOVEL ANTIVIRAL ACYCLIC NUCLEOSIDE PHOSPHONATES PNP, TYMP, EIF2AK2 LMNA 3155/4885ALDH1A1 2659/4885MAPT 4248/4885

“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.