SCHEMBL3698976

SCHEMBL3698976

Cn1ccnc1-c1nc2c(-c3ccc4ccccc4c3)ccnc2n1C1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.36
PIM1 P11309 2/20 0.35
PIM2 Q9P1W9 2/20 0.35
TP53 P04637 1/20 0.34
TLR8 Q9NR97 3/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
TLR9 Q9NR96 2/20 0.34
TLR7 Q9NYK1 2/20 0.34
SLC6A3 Q01959 1/20 0.34
TLR4 O00206 1/20 0.34
HTR3A P46098 1/20 0.33
KCNH2 Q12809 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
PRKCZ Q05513 1/20 0.32

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) NR1H4PIM1PIM2TP53SLC6A2
SCHEMBL3694721 0.88 NR1H4 (0.36) NR1H4PIM1PIM2TP53TLR8
SCHEMBL3653517 0.86 NR1H4 (0.39) NR1H4PIM1PIM2TP53SLC6A2
SCHEMBL3646892 0.86 NR1H4 (0.40) NR1H4PIM1PIM2TP53SLC6A2
SCHEMBL3643524 0.85 NR1H4 (0.41) NR1H4PIM1PIM2TP53SLC6A2
SCHEMBL3647955 0.85 BRD4 (0.39) NR1H4PIM1PIM2TP53SLC6A2
SCHEMBL3647836 0.84 MAPK11 (0.41) NR1H4PIM1PIM2SLC6A2SLC6A4
SCHEMBL3653373 0.84 TP53 (0.39) NR1H4PIM1PIM2TP53SLC6A2
SCHEMBL3644892 0.84 BRD4 (0.41) NR1H4SLC6A2SLC6A4HTR3AKCNH2
SCHEMBL3652553 0.84 MAPK14 (0.39) NR1H4PIM1PIM2TP53SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2185556-A1 IMIDAZOPYRIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM Wyeth a Corporation of the State of Delaware (US) 2010-05-19 EP 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 claimed
WO-2009029609-A1 IMIDAZOPYRIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-03-05 WO 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 NR1H4 374/4885PIM1 380/4885PIM2 352/4885

“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.