SCHEMBL4902914

SCHEMBL4902914

OC[C@H](Cc1cn(Cc2cc(F)cc(F)c2)cn1)Nc1nccc(-c2ccc3ccccc3c2)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRHDE Q9UKU6 1/20 0.38
MAPK1 P28482 7/20 0.38
CCNA2 P20248 3/20 0.36
CDK2 P24941 3/20 0.36
MAPK3 P27361 3/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
DKK1 O94907 1/20 0.35
GSK3B P49841 1/20 0.35
MAPK14 Q16539 4/20 0.34
DYRK1B Q9Y463 1/20 0.33
TNIK Q9UKE5 1/20 0.33
CLK1 P49759 1/20 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
SCHEMBL4906911 0.84 IKBKB (0.42) TRHDEMAPK1CYP11B1CYP11B2TNIK
SCHEMBL4904630 0.83 DKK1 (0.36) TRHDEMAPK1CCNA2CDK2MAPK3
SCHEMBL4906253 0.83 DKK1 (0.36) TRHDEMAPK1CCNA2CDK2MAPK3
SCHEMBL4902912 0.83 DKK1 (0.39) TRHDEMAPK1CCNA2CDK2MAPK3
SCHEMBL4896119 0.82 MAPK1 (0.37) TRHDEMAPK1CCNA2CDK2MAPK3
SCHEMBL4904628 0.82 MAPK1 (0.35) MAPK1CCNA2CDK2MAPK3DKK1
SCHEMBL4900193 0.81 DKK1 (0.36) TRHDEMAPK1CCNA2CDK2MAPK3
SCHEMBL4907640 0.78 ALDH1A1 (0.39) TRHDEMAPK1CCNA2CDK2MAPK3
SCHEMBL4899730 0.77 MEN1 (0.44) MAPK1CDK2DKK1GSK3BDYRK1B
SCHEMBL4904704 0.76 MAPK1 (0.41) MAPK1CCNA2CDK2MAPK3DKK1

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 TRHDE 4523/4885MAPK1 1144/4885CCNA2 490/4885

“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.