SCHEMBL16019754

SCHEMBL16019754

CCCSc1nc(C)c(C)c(Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 2/20 0.36
KMT2A Q03164 3/20 0.35
GAA P10253 1/20 0.35
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALPL P05186 1/20 0.32
ADORA3 P0DMS8 4/20 0.31
KDM1A O60341 1/20 0.31
RAB9A P51151 3/20 0.31
NPC1 O15118 3/20 0.31
TLR7 Q9NYK1 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL16019755 0.90 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDLMNANPSR1
SCHEMBL16017065 0.86 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDLMNANPSR1
SCHEMBL13192768 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDLMNANPSR1
SCHEMBL20668745 0.79 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDLMNANPSR1
SCHEMBL595428 0.76 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDLMNANPSR1
SCHEMBL16019753 0.75 TLR7 (0.47) ALDH1A1KDM4EHPGDLMNANPSR1
SCHEMBL14900243 0.74 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDLMNANPSR1
SCHEMBL19720176 0.73 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDLMNANPSR1
SCHEMBL10272527 0.73 PDE10A (0.32) ADORA1
SCHEMBL11354287 0.73 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDLMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9469614-B2 Synthesis of triazolopyrimidine compounds LEK PHARMACEUTICALS D.D. (SI) 2016-10-18 US disclosed
US-20140256747-A1 Synthesis of Triazolopyrimidine Compounds LEK PHARMACEUTICALS D.D. (SI) 2014-09-11 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-20140256747-A1 Synthesis of Triazolopyrimidine Compounds DPYD, TYMS, TYMP ALDH1A1 1487/4885KDM4E 2840/4885HPGD 454/4885

“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.