SCHEMBL4534794

SCHEMBL4534794

CN1CCCN(c2nccc(-c3ccc4ccccc4c3)n2)CC1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DKK1 O94907 3/20 0.63
RAD52 P43351 1/20 0.58
STK17A Q9UEE5 1/20 0.48
CCNT1 O60563 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
CDK9 P50750 1/20 0.48
ABL1 P00519 1/20 0.46
HTR3A P46098 2/20 0.46
HRH4 Q9H3N8 1/20 0.45
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
CSNK1D P48730 1/20 0.45
MAPK11 Q15759 1/20 0.45
MAPK14 Q16539 1/20 0.45

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
SCHEMBL3651842 0.95 DKK1 (0.69) DKK1RAD52CCNT1CCNA2CDK2
SCHEMBL3644943 0.91 DKK1 (0.74) DKK1RAD52CCNT1CCNA2CDK2
SCHEMBL3650801 0.88 DKK1 (0.74) DKK1RAD52STK17ACCNT1CCNA2
SCHEMBL3647434 0.87 DKK1 (0.72) DKK1CCNT1CCNA2CDK2CDK9
SCHEMBL3649376 0.87 DKK1 (0.72) DKK1CCNT1CCNA2CDK2CDK9
SCHEMBL3648290 0.86 DKK1 (0.74) DKK1CCNT1CCNA2CDK2CDK9
SCHEMBL4522527 0.85 DKK1 (0.60) DKK1RAD52
SCHEMBL3651081 0.84 DKK1 (0.62) DKK1RAD52CCNT1CCNA2CDK2
SCHEMBL4522804 0.83 DKK1 (0.60) DKK1CDK2
SCHEMBL4535074 0.83 DKK1 (0.57) DKK1RAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 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-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WNT1, CTNNB1, WNT3A DKK1 9/4885RAD52 880/4885STK17A 791/4885

“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.