SCHEMBL7239019

SCHEMBL7239019

CC(C)(C)c1cc2nnn(-c3c(F)cccc3F)c2[nH]c1=O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 5/20 0.33
PARP1 P09874 2/20 0.33
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
DAO P14920 1/20 0.31
DDO Q99489 1/20 0.31
MEN1 O00255 1/20 0.31
HSP90AA1 P07900 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGER3 P43115 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30

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
SCHEMBL2662168 0.90 ROCK2 (0.34) HCAR1TNKSTNKS2
SCHEMBL7654621 0.86 HCAR1 (0.43) HCAR1PARP1PTGER3
SCHEMBL7238892 0.86 HCAR1 (0.40) HCAR1
SCHEMBL2658794 0.83 HCAR1 (0.36) HCAR1PARP1DAODDO
SCHEMBL2657831 0.80 MEN1 (0.45) PARP1MEN1HSP90AA1KMT2A
SCHEMBL7238741 0.80 HCAR1 (0.34) HCAR1PARP1TNKSTNKS2
SCHEMBL7241224 0.75 HCAR1 (0.48) HCAR1
SCHEMBL7240781 0.71 HCAR1 (0.47) HCAR1MEN1HSP90AA1KMT2A
SCHEMBL22016868 0.63 ATAD2 (0.64) PARP1DAOPDE3BPDE3A
SCHEMBL1878872 0.63 HCAR1 (0.39) HCAR1PARP1

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-20030073717-A1 Triazolo-pyridine derivatives as ligands for GABA receptors MERCK & CO., INC. 2003-04-17 US disclosed
US-6479506-B1 USEFUL IN THE THERAPY OF DELETERIOUS MENTAL STATES SUCH AS ANXIETY MERCK SHARP & DOHME LTD. (GB) 2002-11-12 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-20030073717-A1 Triazolo-pyridine derivatives as ligands for GABA receptors GABRA3, GABRA4, GABRA5 HCAR1 240/4885PARP1 2497/4885TNKS 1778/4885

“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.