SCHEMBL4899730

SCHEMBL4899730

OC[C@@H](Cc1ccccc1)Nc1nccc(-c2ccc3ccccc3c2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
GSK3B P49841 3/20 0.44
DKK1 O94907 1/20 0.44
MME P08473 1/20 0.40
ROCK2 O75116 4/20 0.40
ROCK1 Q13464 4/20 0.40
CLK4 Q9HAZ1 4/20 0.40
MAPK1 P28482 3/20 0.40
RPS6KA5 O75582 2/20 0.40
RPS6KA4 O75676 2/20 0.40
PRKACA P17612 2/20 0.40
PRKX P51817 2/20 0.40
PRKG1 Q13976 2/20 0.40
GSK3A P49840 1/20 0.40
IRAK1 P51617 1/20 0.40
PKN2 Q16513 1/20 0.40
SGK2 Q9HBY8 1/20 0.40

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
SCHEMBL4903644 0.83 DKK1 (0.40) MEN1KMT2AGSK3BDKK1MAPK1
SCHEMBL4895715 0.81 NEK1 (0.47) GSK3BDKK1ROCK2ROCK1CLK4
SCHEMBL4906716 0.81 NEK1 (0.47) GSK3BDKK1ROCK2ROCK1CLK4
SCHEMBL4906253 0.77 DKK1 (0.36) MEN1KMT2AGSK3BDKK1MAPK1
SCHEMBL4904630 0.77 DKK1 (0.36) MEN1KMT2AGSK3BDKK1MAPK1
SCHEMBL4904704 0.77 MAPK1 (0.41) GSK3BDKK1MAPK1CDK1CDK5
SCHEMBL4902914 0.77 TRHDE (0.38) GSK3BDKK1MAPK1CDK2CLK1
SCHEMBL3651697 0.77 DYRK1A (0.54) MEN1KMT2AGSK3BDKK1CLK4
SCHEMBL4902912 0.77 DKK1 (0.39) GSK3BDKK1MAPK1SIRT2PIK3CA
SCHEMBL3651561 0.76 MAPK8 (0.55) MEN1KMT2AGSK3BDKK1MAPK1

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-20080287452-A1 HETEROARYL/ARYL PYRIMIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2008-11-20 US claimed
US-20080287452-A1 HETEROARYL/ARYL PYRIMIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2008-11-20 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-20080287452-A1 HETEROARYL/ARYL PYRIMIDINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WNT3A, CTNNB1, WNT1 MEN1 3636/4885KMT2A 3865/4885KDM4E 4436/4885

“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.