SCHEMBL717047

SCHEMBL717047

C=Cc1c(N)nc(-c2ccc(SC)cc2)nc1C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.40
ALDH1A1 P00352 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 2/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
PLAU P00749 1/20 0.38
KDM4E B2RXH2 5/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
PKM P14618 3/20 0.38
HAO1 Q9UJM8 1/20 0.36
NPC1 O15118 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL16035755 0.88 KDM4E (0.40) ALDH1A1SMN1; SMN2MAPTKDM4EL3MBTL1
SCHEMBL719539 0.88 CA12 (0.47) ALDH1A1SMN1; SMN2MAPTGAAKDM4E
SCHEMBL720191 0.86 KDM4E (0.41) ADORA3ALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL721162 0.86 KDM4E (0.51) ADORA3ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL718383 0.85 LMNA (0.41) ADORA3ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL719484 0.85 RAB9A (0.41) ALDH1A1SMN1; SMN2MAPTKDM4EL3MBTL1
SCHEMBL16036947 0.85 KDM4E (0.39) ALDH1A1SMN1; SMN2KDM4EL3MBTL1PKM
SCHEMBL27846667 0.83 LOXL2 (0.47) ALDH1A1SMN1; SMN2KDM4EL3MBTL1PKM
SCHEMBL10087229 0.82 SCN9A (0.37) ALDH1A1SMN1; SMN2MAPTKDM4EL3MBTL1
SCHEMBL719490 0.82 EGLN2 (0.39) ALDH1A1SMN1; SMN2KDM4EL3MBTL1PKM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 US disclosed
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 US disclosed
WO-2010092339-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2010-08-19 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-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES DPYD, DHODH, TYMP ADORA3 445/4885ALDH1A1 1043/4885SMN1; SMN2 2864/4885

“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.