SCHEMBL3702882

SCHEMBL3702882

Cc1nc[nH]c1-c1nc2cc(-c3ccc4ccccc4c3)cnc2n1C1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.36
PIK3CA P42336 4/20 0.36
MTOR P42345 3/20 0.36
TP53 P04637 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNB3 Q05901 1/20 0.34
PIK3CD O00329 1/20 0.34
ATM Q13315 1/20 0.34
ATR Q13535 1/20 0.34
NSD3 Q9BZ95 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
GRK5 P34947 1/20 0.34
PRKDC P78527 1/20 0.34
KCNH2 Q12809 2/20 0.33
ALK Q9UM73 2/20 0.33

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
SCHEMBL3647060 0.87 NR1H4 (0.42) NR1H4PIK3CAMTORTP53CHRNB1
SCHEMBL3651321 0.85 ALK (0.40) NR1H4PIK3CAMTORTP53JAK2
SCHEMBL3643516 0.85 NR1H4 (0.41) NR1H4PIK3CAMTORTP53CHRNB1
SCHEMBL3652053 0.84 JAK2 (0.43) NR1H4PIK3CAMTORTP53JAK2
SCHEMBL3694130 0.84 NR1H4 (0.37) NR1H4PIK3CAMTORTP53JAK2
SCHEMBL3650454 0.83 NR1H4 (0.38) NR1H4PIK3CAMTORTP53CHRNB1
SCHEMBL3651210 0.83 MTOR (0.46) NR1H4PIK3CAMTORTP53CHRNB1
SCHEMBL4165898 0.83 PIK3CA (0.38) NR1H4PIK3CAMTORTP53JAK2
SCHEMBL3699084 0.83 ABL1 (0.38) NR1H4PIK3CAMTORTP53JAK2
SCHEMBL3649257 0.83 ALK (0.42) NR1H4PIK3CAMTORCHRNB1CHRNB2

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 374/4885PIK3CA 2076/4885MTOR 1560/4885

“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.