SCHEMBL22734836

SCHEMBL22734836

Cc1ncccc1C(N)=S

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.55
MAPT P10636 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
PARP1 P09874 1/20 0.43
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PLAU P00749 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
AHR P35869 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39

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
Acetic Acid SCHEMBL27987140 0.91 P2RX7 (0.56) P2RX7MAPTL3MBTL1PARP1MKNK1
SCHEMBL5740191 0.81 P2RX7 (0.52) P2RX7MAPTL3MBTL1MKNK1MKNK2
SCHEMBL355358 0.81 P2RX7 (0.52) P2RX7MAPTL3MBTL1MKNK1MKNK2
SCHEMBL5073329 0.79 P2RX7 (0.55) P2RX7MAPTL3MBTL1PARP1MKNK1
Hydrochloric Acid SCHEMBL1375608 0.79 P2RX7 (0.50) P2RX7MAPTL3MBTL1MKNK1MKNK2
SCHEMBL28905992 0.79 P2RX7 (0.65) P2RX7MAPTL3MBTL1PARP1MKNK1
Hydrochloric Acid SCHEMBL27483686 0.79 P2RX7 (0.55) P2RX7MAPTL3MBTL1PARP1MKNK1
SCHEMBL129457 0.79 P2RX7 (0.65) P2RX7MAPTL3MBTL1PARP1MKNK1
SCHEMBL19310811 0.79 P2RX7 (0.55) P2RX7MAPTL3MBTL1PARP1MKNK1
SCHEMBL27543664 0.78 MAPT (0.47) P2RX7MAPTL3MBTL1PARP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200385406-A1 SUBSTITUTED HETEROCYCLIC-PYRIDINONES AS HIV-1 NEF-HCK INHIBITORS SOUTHERN RESEARCH INSTITUTE 2020-12-10 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-20200385406-A1 SUBSTITUTED HETEROCYCLIC-PYRIDINONES AS HIV-1 NEF-HCK INHIBITORS HCK, PDXK, NADK P2RX7 2306/4885MAPT 1498/4885L3MBTL1 3051/4885

“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.