SCHEMBL4165898

SCHEMBL4165898

Cc1nc(-c2nc3cc(-c4ccc5ccccc5c4)cnc3n2C2CCNCC2)c[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.38
MTOR P42345 3/20 0.38
NR1H4 Q96RI1 1/20 0.36
IRAK4 Q9NWZ3 1/20 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
WNT1 P04628 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
GRK5 P34947 1/20 0.34
PRKDC P78527 1/20 0.34

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) PIK3CAMTORNR1H4TP53CHRNB1
SCHEMBL3650993 0.86 TP53 (0.41) PIK3CAMTORNR1H4TP53GRK5
SCHEMBL3643990 0.85 MTOR (0.43) PIK3CAMTORNR1H4IRAK4TP53
SCHEMBL3651321 0.85 ALK (0.40) PIK3CAMTORNR1H4TP53JAK2
SCHEMBL3643516 0.85 NR1H4 (0.41) PIK3CAMTORNR1H4IRAK4TP53
SCHEMBL3652053 0.84 JAK2 (0.43) PIK3CAMTORNR1H4TP53JAK2
SCHEMBL3650454 0.83 NR1H4 (0.38) PIK3CAMTORNR1H4IRAK4TP53
SCHEMBL3651210 0.83 MTOR (0.46) PIK3CAMTORNR1H4TP53CHRNB1
SCHEMBL3702882 0.83 NR1H4 (0.36) PIK3CAMTORNR1H4IRAK4TP53
SCHEMBL3699084 0.83 ABL1 (0.38) PIK3CAMTORNR1H4IRAK4TP53

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 PIK3CA 2076/4885MTOR 1560/4885NR1H4 374/4885

“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.