SCHEMBL3701759

SCHEMBL3701759

Cc1nc(-c2nc3c(-c4ccc5ccccc5c4)ccnc3n2C2CCNCC2)c[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DKK1 O94907 3/20 0.37
NR1H4 Q96RI1 1/20 0.36
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
TP53 P04637 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MAPK14 Q16539 6/20 0.33
BRD4 O60885 4/20 0.33
CSNK1D P48730 2/20 0.33
PRKCI P41743 1/20 0.33
MAPK11 Q15759 1/20 0.33
BRDT Q58F21 1/20 0.33
MAPKAPK2 P49137 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 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
SCHEMBL3653373 0.88 TP53 (0.39) DKK1NR1H4PIM1PIM2TP53
SCHEMBL3646647 0.87 NR1H4 (0.41) DKK1NR1H4PIM1PIM2TP53
SCHEMBL3653517 0.85 NR1H4 (0.39) NR1H4PIM1PIM2TP53PIK3CA
SCHEMBL3646892 0.85 NR1H4 (0.40) DKK1NR1H4PIM1PIM2TP53
SCHEMBL3653275 0.85 PIK3CA (0.40) DKK1NR1H4PIM1PIM2TP53
SCHEMBL3643524 0.84 NR1H4 (0.41) DKK1NR1H4PIM1PIM2TP53
SCHEMBL3647955 0.84 BRD4 (0.39) NR1H4PIM1PIM2TP53SLC6A2
SCHEMBL3647836 0.84 MAPK11 (0.41) NR1H4PIM1PIM2PIK3CAMTOR
SCHEMBL3692051 0.83 NR1H4 (0.36) DKK1NR1H4PIM1PIM2TP53
SCHEMBL3651839 0.83 MAPK14 (0.38) NR1H4PIM1PIM2TP53PIK3CA

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 6 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
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 disclosed
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
WO-2009029609-A1 IMIDAZOPYRIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-03-05 WO 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 DKK1 9/4885NR1H4 374/4885PIM1 380/4885

“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.