SCHEMBL4167558

SCHEMBL4167558

c1csc(-c2nc3c(-c4ccc5ccccc5c4)ccnc3n2C2CCNCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAUR Q03405 1/20 0.39
HTR6 P50406 1/20 0.38
HTR2C P28335 2/20 0.37
HTR2A P28223 1/20 0.37
HTR2B P41595 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
PLAT P00750 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
PDE4B Q07343 1/20 0.35
ADRB1 P08588 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 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
SCHEMBL3646647 0.88 NR1H4 (0.41) NR1H4SLC6A2SLC6A4SLC6A3TP53
SCHEMBL3647836 0.86 MAPK11 (0.41) NR1H4SLC6A2SLC6A4SLC6A3PRKCZ
SCHEMBL3646892 0.86 NR1H4 (0.40) NR1H4SLC6A2SLC6A4SLC6A3TP53
SCHEMBL3644404 0.86 MAPKAPK2 (0.36) NR1H4SLC6A2SLC6A4SLC6A3TP53
SCHEMBL3654292 0.85 NR1H4 (0.36) NR1H4SLC6A2SLC6A4SLC6A3TP53
SCHEMBL3653373 0.84 TP53 (0.39) NR1H4PLATSLC6A2SLC6A4SLC6A3
SCHEMBL3653517 0.84 NR1H4 (0.39) NR1H4SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL3648574 0.83 NR1H4 (0.38) NR1H4SLC6A2SLC6A4SLC6A3TP53
SCHEMBL3650998 0.83 NR1H4 (0.38) HTR2CHTR2ANR1H4SLC6A2SLC6A4
SCHEMBL3652977 0.83 NR1H4 (0.38) HTR6NR1H4SLC6A2SLC6A4SLC6A3

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-20090069319-A1 IMIDAZOPYRIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-03-12 US claimed
US-20090069319-A1 IMIDAZOPYRIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-03-12 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-20090069319-A1 IMIDAZOPYRIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WNT1, CTNNB1, WNT3A PLAUR 884/4885HTR6 110/4885HTR2C 167/4885

“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.